SCHEMBL8395478

SCHEMBL8395478

Fc1cc(F)c2sc(CNc3cccc(Br)c3)nc2c1F

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.42
AKR1A1 P14550 4/20 0.42

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
SCHEMBL8395603 0.88 AKR1B1 (0.47) AKR1B1AKR1A1
SCHEMBL8398952 0.86 AKR1B1 (0.44) AKR1B1AKR1A1
SCHEMBL8396211 0.86 AKR1B1 (0.47) AKR1B1AKR1A1
SCHEMBL8397910 0.85 AKR1B1 (0.42) AKR1B1AKR1A1
SCHEMBL8399069 0.83 PIM1 (0.39) AKR1B1
SCHEMBL8396047 0.81 AKR1B1 (0.39) AKR1B1AKR1A1
SCHEMBL8397104 0.81 AKR1B1 (0.49) AKR1B1AKR1A1
SCHEMBL8398181 0.81 AKR1B1 (0.44) AKR1B1AKR1A1
SCHEMBL8395427 0.81 EGFR (0.38)
SCHEMBL8399092 0.81 AKR1B1 (0.38) AKR1B1

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