SCHEMBL8740860

SCHEMBL8740860

Cc1nnc(S)n1-c1cccc(S(=O)(=O)[O-])c1.[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 14)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 3/20 0.33
CA2 known ✓ P00918 3/20 0.33
CA12 known ✓ O43570 2/20 0.32
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR1H2 P55055 5/20 0.34
NR1H3 Q13133 5/20 0.34
CA9 Q16790 3/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
AVPR1A P37288 1/20 0.32
POLB P06746 1/20 0.32
BRD4 O60885 1/20 0.31

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
SCHEMBL14112936 0.76 TDP1 (0.49) LMNATDP1AVPR1A
SCHEMBL8740824 0.73 LMNA (0.37) LMNATDP1CA1CA2CA9
SCHEMBL1156162 0.73 LMNA (0.43) LMNATDP1POLB
SCHEMBL30632057 0.73 LMNA (0.43) LMNATDP1POLB
SCHEMBL13401048 0.73 NOTUM (0.43) LMNACYP2D6CYP2C19AVPR1A
Water SCHEMBL29064927 0.72 LMNA (0.42) LMNATDP1POLB
SCHEMBL1562739 0.71 AVPR1A (0.56) AVPR1A
SCHEMBL29218112 0.69 LMNA (0.39) LMNATDP1POLB
SCHEMBL11996354 0.67 ALDH1A1 (0.51) LMNATDP1CYP2C19POLB
SCHEMBL128235 0.67 LMNA (0.56) LMNATDP1CA1CA2CA9

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-5667936-A FLUOROMETHYLATED HYDRAZIDE, HIGH CONTRAST, PROCESSING STABILITY, PRESERVABILITY FUJI PHOTO FILM CO., LTD. (JP) 1997-09-16 US disclosed
EP-0736798-A1 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1996-10-09 EP disclosed