SCHEMBL29407555

SCHEMBL29407555

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

nearest known ligand 0.59

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 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.59
▸ GPR35 Q9HC97 2/20 0.59
▸ TDP1 Q9NUW8 6/20 0.52
▸ ALDH1A1 P00352 5/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ERN1 O75460 1/20 0.44
▸ S100A4 P26447 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ PTPRC P08575 1/20 0.40

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
SCHEMBL7157905 0.86 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL1926046 0.84 TSHR (0.71) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL118464 0.84 TSHR (0.71) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL28529002 0.81 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL32679302 0.81 ALDH1A1 (0.52) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL28144547 0.81 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL7157907 0.81 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL29669769 0.81 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
Fluoride SCHEMBL29099623 0.81 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL27735242 0.81 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119391203-A Clean production process of sulfur black dye 安徽八一化工股份有限公司 2025-02-07 — — CN claimed
CN-119391203-A Clean production process of sulfur black dye 安徽八一化工股份有限公司 2025-02-07 — — CN disclosed
CN-114133285-A Efficient multifunctional water-soluble fertilizer and preparation method thereof 戴斌 2022-03-04 — — CN disclosed
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