SCHEMBL11683409

SCHEMBL11683409

S=C([S-])NCCc1nc2ccccc2s1.[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 20)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 1/20 0.50
CA1 known ✓ P00915 1/20 0.50
CA2 known ✓ P00918 1/20 0.50
CA9 Q16790 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
ALOX15 P16050 1/20 0.49
HPGD P15428 7/20 0.48
RAB9A P51151 1/20 0.48
UBE2T Q9NPD8 1/20 0.47
ASIC3 Q9UHC3 1/20 0.47
POLB P06746 2/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 1/20 0.46
PDE10A Q9Y233 2/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL17050824 0.78 SMN1; SMN2 (0.57) SMN1; SMN2HTTALOX15HPGDRAB9A
SCHEMBL16136346 0.76 HPGD (0.55) SMN1; SMN2HTTALOX15HPGDRAB9A
SCHEMBL17481133 0.76 HPGD (0.69) SMN1; SMN2HTTALOX15HPGDRAB9A
SCHEMBL19372016 0.76 UBE2T (0.70) SMN1; SMN2HTTALOX15HPGDRAB9A
SCHEMBL7435843 0.75 UBE2T (0.56) SMN1; SMN2HTTALOX15HPGDRAB9A
SCHEMBL16768664 0.75 HPGD (0.51) SMN1; SMN2HTTALOX15HPGDRAB9A
SCHEMBL16133681 0.75 SMN1; SMN2 (0.53) SMN1; SMN2HTTALOX15HPGDRAB9A
SCHEMBL10358351 0.74 MAPT (0.50) SMN1; SMN2HTTALOX15HPGDRAB9A
SCHEMBL3060261 0.74 HPGD (0.66) SMN1; SMN2HTTALOX15HPGDRAB9A
SCHEMBL8175757 0.74 HPGD (0.48) SMN1; SMN2HTTALOX15HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4036650-A SILVER SALT, SILVER HALIDE, REDUCING AGENT CANON KABUSHIKI KAISHA (JA) 1977-07-19 US disclosed