SCHEMBL8399732

SCHEMBL8399732

Fc1cc(F)c2sc(CNc3cccc(Cl)c3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.42
GAA P10253 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ROCK2 O75116 1/20 0.37
GRK2 P25098 1/20 0.37
TRPM5 Q9NZQ8 1/20 0.37
DHFR P00374 1/20 0.36
ALOX5 P09917 1/20 0.36
EPHX2 P34913 1/20 0.36
SYK P43405 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL8399113 0.89 NOS1 (0.44) AKR1B1HDAC6MEN1KMT2ARAB9A
SCHEMBL8400483 0.86 AKR1B1 (0.44) AKR1B1HDAC6MEN1KMT2ARAB9A
SCHEMBL8399351 0.86 AKR1B1 (0.46) AKR1B1RAB9ATRPM5MAPT
SCHEMBL8399092 0.85 AKR1B1 (0.38) AKR1B1
SCHEMBL8395544 0.84 GAA (0.43) GAAHDAC6MEN1KMT2AALDH1A1
SCHEMBL8395489 0.82 AKR1B1 (0.39) AKR1B1HDAC6MEN1KMT2ARAB9A
SCHEMBL8400189 0.81 AKR1B1 (0.36) AKR1B1
SCHEMBL8399257 0.81 SYK (0.44) AKR1B1GAAMEN1KMT2ARAB9A
SCHEMBL8397910 0.81 AKR1B1 (0.42) AKR1B1GAAHDAC6MEN1KMT2A
SCHEMBL8395800 0.79 AKR1B1 (0.41) AKR1B1MEN1KMT2AROCK2GRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647636-B1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF SENJU PHARMA CO (JP) 1999-06-09 EP disclosed
US-5532257-A ENZYME INHIBITOR SENJU PHARMACEUTICAL CO., LTD (JP) 1996-07-02 US disclosed
EP-0647636-A1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1995-04-12 EP disclosed