SCHEMBL10950260

SCHEMBL10950260

O=C1C(=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])SC(=S)N1c1ccccc1.[Na+]

nearest known ligand 0.39

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
▸ MAPT P10636 11/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ HPGD P15428 5/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ DUSP3 P51452 1/20 0.38
▸ MEN1 O00255 6/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ MAPK1 P28482 4/20 0.38
▸ HTT P42858 1/20 0.38
▸ POLB P06746 7/20 0.37
▸ MMP13 P45452 4/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ ALPG P10696 2/20 0.37
▸ APEX1 P27695 2/20 0.37
▸ ALOX15 P16050 2/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ CASP1 P29466 2/20 0.35

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
SCHEMBL10950263 0.89 MAPT (0.47) MAPTALDH1A1HPGDL3MBTL1DUSP3
SCHEMBL10394621 0.84 MAPT (0.41) MAPTALDH1A1L3MBTL1CYP2C9KDM4E
Potassium Ion SCHEMBL10791244 0.83 MEN1 (0.52) MAPTALDH1A1HPGDL3MBTL1CYP2C9
SCHEMBL5688049 0.80 MAPT (0.46) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL5688044 0.80 MAPT (0.46) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL9637056 0.76 MEN1 (0.52) MAPTALDH1A1HPGDL3MBTL1MEN1
SCHEMBL9637053 0.76 MEN1 (0.52) MAPTALDH1A1HPGDL3MBTL1MEN1
SCHEMBL10627522 0.74 MEN1 (0.66) MAPTALDH1A1HPGDL3MBTL1CYP2C9
SCHEMBL10627528 0.74 MEN1 (0.66) MAPTALDH1A1HPGDL3MBTL1CYP2C9
SCHEMBL9104480 0.73 SIGMAR1 (0.45) MAPTHPGDL3MBTL1CYP2C9KDM4E

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
US-4552837-A SPECTRAL SENSITIVITY, CYANINE DYE, BIS/PYRIDINIUM COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1985-11-12 — — US disclosed
US-4513081-A SENSITIZING METHINE DYE AND CYAN COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1985-04-23 — — US disclosed
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