SCHEMBL8398952

SCHEMBL8398952

Fc1cc(F)c2sc(CNc3ccc(Br)cc3)nc2c1F

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.44
AKR1A1 P14550 2/20 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
SCHEMBL8397104 0.89 AKR1B1 (0.49) AKR1B1AKR1A1
SCHEMBL8399216 0.87 AKR1B1 (0.44) AKR1B1AKR1A1
SCHEMBL8399164 0.87 AKR1B1 (0.44) AKR1B1AKR1A1
SCHEMBL8396211 0.86 AKR1B1 (0.47) AKR1B1AKR1A1
SCHEMBL8395478 0.86 AKR1B1 (0.42) AKR1B1AKR1A1
SCHEMBL8396302 0.84 HDAC6 (0.45) AKR1B1AKR1A1
SCHEMBL8395603 0.81 AKR1B1 (0.47) AKR1B1AKR1A1
SCHEMBL8398073 0.81 AKR1B1 (0.45) AKR1B1AKR1A1
SCHEMBL8400236 0.80 HDAC6 (0.36) AKR1B1
SCHEMBL8399713 0.80 AKR1B1 (0.45) 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