SCHEMBL30950697

SCHEMBL30950697

O=S(=O)([O-])CC(S)Cc1nc2ccccc2s1.[Na+]

nearest known ligand 0.48

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 0.40
▸ CA1 known ✓ P00915 1/20 0.40
▸ CA2 known ✓ P00918 1/20 0.40
▸ CA4 known ✓ P22748 1/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ UBE2T Q9NPD8 1/20 0.45
▸ ASIC3 Q9UHC3 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ PKM P14618 1/20 0.43
▸ PSMB8 P28062 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 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
SCHEMBL1446355 1.00 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1UBE2TASIC3
SCHEMBL292002 0.86 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1UBE2TASIC3
SCHEMBL30950696 0.77 UBE2T (0.53) SMN1; SMN2RAB9ANPC1UBE2TASIC3
SCHEMBL1730426 0.76 KDM4E (0.51) SMN1; SMN2RAB9ANPC1UBE2TASIC3
SCHEMBL29595720 0.73 KDM4E (0.58) SMN1; SMN2RAB9ANPC1UBE2TASIC3
SCHEMBL8414136 0.73 UBE2T (0.56) SMN1; SMN2RAB9ANPC1UBE2TASIC3
SCHEMBL29096740 0.72 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1UBE2TASIC3
SCHEMBL2134712 0.71 UBE2T (0.50) SMN1; SMN2RAB9ANPC1UBE2TASIC3
SCHEMBL10448550 0.71 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1UBE2TASIC3
SCHEMBL29023737 0.71 UBE2T (0.53) SMN1; SMN2RAB9ANPC1UBE2TASIC3

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
CN-118241268-A High tensile strength electrolytic copper foil additive, electrolytic copper foil and preparation method 陕西未来尖端材料科技有限公司 2024-06-25 — — CN disclosed
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