SCHEMBL31314548

SCHEMBL31314548

CCCCCCCCCNCCCCCC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.50

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
CA2 known ✓ P00918 3/20 0.43
PTGS2 known ✓ P35354 1/20 0.41
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MGLL Q99685 3/20 0.43
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3063106 0.92 KMT2A (0.54) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL9780310 0.92 KMT2A (0.54) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1249882 0.92 KMT2A (0.54) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3192403 0.92 KMT2A (0.54) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5706178 0.92 KMT2A (0.54) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6325898 0.92 KMT2A (0.54) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL133846 0.92 KMT2A (0.54) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7191365 0.91 KMT2A (0.52) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
Potassium Ion SCHEMBL6902487 0.90 KMT2A (0.54) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL38385 0.89 ALDH1A1 (0.60) KMT2ASMN1; SMN2ALDH1A1MGLL

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-119564526-A Oxidative hair cream compositions containing thiophene azo colorants 美利肯公司 2025-03-07 CN disclosed
CN-116056682-B Oxidative hair cream compositions containing thiophene azo colorants 美利肯公司 2024-12-17 CN disclosed