SCHEMBL31493507

SCHEMBL31493507

[N-]=[N+]=C1C(=O)c2ccccc2C(=O)C1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.37

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
THRB known ✓ P10828 1/20 0.33
PPARG known ✓ P37231 1/20 0.33
S100A4 P26447 3/20 0.37
PTPN1 P18031 2/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CDC25B P30305 2/20 0.34
PKLR P30613 3/20 0.34
MAPT P10636 3/20 0.33
MAPK1 P28482 3/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
APAF1 O14727 2/20 0.33
TDP2 O95551 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CES2 O00748 1/20 0.33
TERT O14746 1/20 0.33
NPC1 O15118 1/20 0.33
PLIN1 O60240 1/20 0.33
S1PR4 O95977 1/20 0.33

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
SCHEMBL5246302 1.00 S100A4 (0.37) S100A4PTPN1MEN1KMT2ACDC25B
SCHEMBL6848561 0.83 S100A4 (0.39) S100A4MEN1KMT2ACDC25BMAPT
SCHEMBL3147191 0.82 S100A4 (0.42) S100A4MEN1KMT2ACDC25BMAPT
SCHEMBL1412040 0.82 S100A4 (0.38) S100A4MEN1KMT2ACDC25BMAPT
SCHEMBL30048825 0.82 S100A4 (0.42) S100A4MEN1KMT2ACDC25BMAPT
SCHEMBL5246311 0.81 S100A4 (0.37) S100A4MEN1KMT2ACDC25BMAPT
Hydrochloric Acid SCHEMBL5467571 0.81 S100A4 (0.37) S100A4MEN1KMT2ACDC25BMAPT
Phenol SCHEMBL3136009 0.76 MEN1 (0.38) S100A4PTPN1MEN1KMT2AMAPT
Phenol SCHEMBL28963693 0.76 MEN1 (0.38) S100A4PTPN1MEN1KMT2AMAPT
SCHEMBL7597246 0.73 S100A4 (0.47) S100A4MEN1KMT2ACDC25BMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119805863-A HF-resistant photoresist-removing alkali-soluble photoresist and preparation method thereof 江苏光启灵犀装备有限公司 2025-04-11 CN claimed
CN-119805863-A HF-resistant photoresist-removing alkali-soluble photoresist and preparation method thereof 江苏光启灵犀装备有限公司 2025-04-11 CN disclosed