SCHEMBL7829062

SCHEMBL7829062

O=[N+]([O-])c1ccc(S(=O)(=O)[O-])c(Oc2ccccc2)c1.[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 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 known ✓ P0DMS8 1/20 0.59
▸ PTGS1 known ✓ P23219 1/20 0.59
▸ ADORA2A known ✓ P29274 1/20 0.59
▸ ADORA1 known ✓ P30542 1/20 0.59
▸ PTGS2 known ✓ P35354 1/20 0.59
▸ NR3C1 known ✓ P04150 1/20 0.41
▸ MAPT P10636 7/20 0.59
▸ MEN1 O00255 6/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ LMNA P02545 5/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ MAPK1 P28482 3/20 0.59
▸ CYP19A1 P11511 2/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ HIF1A Q16665 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ MLNR O43193 1/20 0.59
▸ MMP1 P03956 1/20 0.59

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
SCHEMBL7829064 0.84 MAPT (0.57) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7830987 0.77 CYP19A1 (0.53) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7830984 0.77 TBXA2R (0.56) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL11315551 0.77 MEN1 (0.58) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3845000 0.77 MAPT (0.58) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL10337156 0.77 HTT (0.60) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL6725208 0.77 TBXA2R (0.55) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL28738308 0.77 TBXA2R (0.62) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9011400 0.76 CASP1 (0.47) KMT2ALMNASMN1; SMN2MAPK1TSHR
SCHEMBL15391420 0.76 CYP19A1 (0.57) MAPTMEN1KMT2ALMNASMN1; 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
EP-0476659-B1 A 3(5)-Hydrazinopyrazole compound FUJI PHOTO FILM CO LTD (JP) 2001-12-19 — — EP disclosed
US-5235058-A Photographic couplers FUJI PHOTO FILM CO., LTD. (JP) 1993-08-10 — — US disclosed
EP-0476659-A1 A 3(5)-Hydrazinopyrazole compound Fuji Photo Film Co., Ltd. (JP) 1992-03-25 — — EP disclosed
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