SCHEMBL8399078

SCHEMBL8399078

COc1ccccc1N(Cc1nc2c(F)c(F)cc(F)c2s1)C(=O)CCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.46
AKR1A1 P14550 5/20 0.46

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
SCHEMBL8396328 0.90 AKR1B1 (0.42) AKR1B1AKR1A1
SCHEMBL8395871 0.88 AKR1A1 (0.50) AKR1B1AKR1A1
SCHEMBL8400466 0.88 AKR1A1 (0.49) AKR1B1AKR1A1
SCHEMBL8396110 0.86 AKR1B1 (0.41) AKR1B1
SCHEMBL8399220 0.86 AKR1A1 (0.48) AKR1B1AKR1A1
SCHEMBL8400230 0.86 AKR1A1 (0.48) AKR1B1AKR1A1
SCHEMBL8396464 0.85 AKR1A1 (0.46) AKR1B1AKR1A1
SCHEMBL8398844 0.85 AKR1B1 (0.42) AKR1B1
SCHEMBL8399405 0.84 AKR1A1 (0.52) AKR1B1AKR1A1
SCHEMBL8396249 0.84 ALDH1A1 (0.38)

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