SCHEMBL1063227

SCHEMBL1063227

O=[N+]([O-])c1cccc(S(=O)(=O)O)c1.[Na+]

nearest known ligand 0.70

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 3/20 0.66
CA1 known ✓ P00915 1/20 0.65
CA12 known ✓ O43570 1/20 0.54
KMT2A Q03164 3/20 0.70
GAA P10253 1/20 0.70
HTT P42858 1/20 0.70
CA5A P35218 1/20 0.66
MMP2 P08253 2/20 0.65
MMP1 P03956 1/20 0.65
MMP9 P14780 1/20 0.65
MMP8 P22894 1/20 0.65
MMP13 P45452 1/20 0.65
F2 P00734 3/20 0.59
PRSS1 P07477 3/20 0.59
PRSS2 P07478 3/20 0.59
PRSS3 P35030 3/20 0.59
LMNA P02545 2/20 0.59
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 4/20 0.58
TSHR P16473 2/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6525363 0.98 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
SCHEMBL9471995 0.98 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
SCHEMBL33350 0.98 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
SCHEMBL33351 0.98 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
Hydrochloric Acid SCHEMBL8975909 0.96 KMT2A (0.70) KMT2AGAAHTTCA2CA5A
Ammonia Solution, Strong SCHEMBL9479957 0.96 KMT2A (0.70) KMT2AGAAHTTCA2CA5A
SCHEMBL4579511 0.96 KMT2A (0.70) KMT2AGAAHTTCA2CA5A
SCHEMBL10474225 0.96 KMT2A (0.70) KMT2AGAAHTTCA2CA5A
Water SCHEMBL8747065 0.96 KMT2A (0.70) KMT2AGAAHTTCA2CA5A
SCHEMBL28819172 0.96 KMT2A (0.70) KMT2AGAAHTTCA2CA5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 227 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118979394-A Printing and dyeing process of knitted fabric 南通鼎淏纺织科技有限公司 2024-11-19 CN claimed
US-20230220615-A1 METHOD FOR PRODUCING DENIM-EFFECT GARMENTS GUANGZHOU JINGYILVFANG TECHNOLOGY CO., LTD (CN) 2023-07-13 US claimed
CN-218307863-U Production of m nitryl sodium benzenesulfonate is with safe type sulfonation pot 德州虹桥染料化工有限公司 2023-01-17 CN claimed
CN-218076727-U Novel m-sodium nitrobenzenesulfonate purification filter tank discharging device 天津百伦斯生物技术有限公司 2022-12-20 CN claimed
CN-218096900-U Centrifugal drier for purifying sodium m-nitrobenzenesulfonate 天津百伦斯生物技术有限公司 2022-12-20 CN claimed
CN-218096893-U Vacuum drying oven for purifying sodium m-nitrobenzenesulfonate 天津百伦斯生物技术有限公司 2022-12-20 CN claimed
CN-218076805-U Novel m-sodium nitrobenzenesulfonate purification filter tank 天津百伦斯生物技术有限公司 2022-12-20 CN claimed
CN-218076646-U Novel m-sodium nitrobenzenesulfonate purification filter cloth connecting structure 天津百伦斯生物技术有限公司 2022-12-20 CN claimed
CN-218078994-U M-sodium nitrobenzenesulfonate purification filter plate fixing device 天津百伦斯生物技术有限公司 2022-12-20 CN claimed
CN-218076684-U Sodium m-nitrobenzenesulfonate purification filter tank feeding device 天津百伦斯生物技术有限公司 2022-12-20 CN claimed
CN-114032697-A Printing process of artificial cotton fabric 绍兴泽平印染有限公司 2022-02-11 CN claimed
CN-111499228-B Cementing material for mortar and application thereof 涉县清漳水泥制造有限公司 2021-11-02 CN claimed
CN-109518484-B Method for dyeing stretch yarn by vat dye 广东溢达纺织有限公司 2021-06-11 CN claimed
CN-112941931-A Printing process of polyester fabric 浙江金典印染有限公司 2021-06-11 CN claimed
CN-112011791-A Formation agent based on phosphoric acid without surface conditioning process and sodium sulfite promoter and preparation method thereof 立邦涂料(重庆)化工有限公司 2020-12-01 CN claimed
CN-111979061-A Foam detergent for nuclear facilities and preparation method thereof 合肥科源应用化工研究所 2020-11-24 CN claimed
CN-111499228-A Cementing material for mortar and application thereof 涉县清漳水泥制造有限公司 2020-08-07 CN claimed
CN-111039459-A Treatment process of nickel-deplating wastewater containing m-sodium nitrobenzenesulfonate 厦门科霖达环保科技有限公司 2020-04-21 CN claimed
US-6994777-B2 Chemical sensors utilizing conducting polymer compositions LYNNTECH, INC. (US) 2006-02-07 US claimed
US-20040040841-A1 Chemical sensors utilizing conducting polymer compositions CITY BANK 2004-03-04 US claimed