SCHEMBL8398181

SCHEMBL8398181

CCOc1cccc(NCc2nc3c(F)c(F)cc(F)c3s2)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.44
SYK P43405 1/20 0.44
GPX4 P36969 1/20 0.40
HDAC4 P56524 1/20 0.37
MEF2D Q14814 1/20 0.37
AKR1A1 P14550 5/20 0.37
RPS6KA2 Q15349 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
SCHEMBL8398153 0.85 SYK (0.44) SYKGPX4HDAC4MEF2DRPS6KA2
SCHEMBL8396283 0.83 SYK (0.45) SYKGPX4HDAC4MEF2DRPS6KA2
SCHEMBL8395603 0.83 AKR1B1 (0.47) AKR1B1AKR1A1
SCHEMBL8399257 0.83 SYK (0.44) AKR1B1SYKGPX4HDAC4MEF2D
SCHEMBL8396047 0.81 AKR1B1 (0.39) AKR1B1AKR1A1
SCHEMBL8396211 0.81 AKR1B1 (0.47) AKR1B1AKR1A1
SCHEMBL8397910 0.81 AKR1B1 (0.42) AKR1B1AKR1A1
SCHEMBL8395478 0.81 AKR1B1 (0.42) AKR1B1AKR1A1
SCHEMBL8399713 0.79 AKR1B1 (0.45) AKR1B1AKR1A1
SCHEMBL8397104 0.79 AKR1B1 (0.49) AKR1B1AKR1A1

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