SCHEMBL8399041

SCHEMBL8399041

COc1ccc(N(Cc2nc3c(F)c(F)cc(F)c3s2)C(=O)CCC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.50
AKR1A1 P14550 3/20 0.50

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
SCHEMBL8398063 0.90 AKR1A1 (0.48) AKR1B1AKR1A1
SCHEMBL8399638 0.90 AKR1B1 (0.44) AKR1B1AKR1A1
SCHEMBL8401565 0.89 AKR1A1 (0.48) AKR1B1AKR1A1
SCHEMBL8399350 0.89 AKR1B1 (0.47) AKR1B1AKR1A1
SCHEMBL8400725 0.89 AKR1B1 (0.42) AKR1B1AKR1A1
SCHEMBL8399405 0.88 AKR1A1 (0.52) AKR1B1AKR1A1
SCHEMBL8399192 0.87 AKR1A1 (0.48) AKR1B1AKR1A1
SCHEMBL8396644 0.87 AKR1A1 (0.48) AKR1B1AKR1A1
SCHEMBL8401807 0.86 AKR1A1 (0.43) AKR1B1AKR1A1
SCHEMBL8398964 0.86

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