SCHEMBL8399067

SCHEMBL8399067

COC(=O)CCC(=O)N(Cc1nc2c(F)c(F)cc(F)c2s1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 2/20 0.41
AKR1B1 P15121 2/20 0.41
MDM2 Q00987 1/20 0.39

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
SCHEMBL8399048 0.92 AKR1A1 (0.41) AKR1A1AKR1B1
SCHEMBL8399192 0.88 AKR1A1 (0.48) AKR1A1AKR1B1
SCHEMBL8399466 0.84 SMN1; SMN2 (0.43) AKR1A1AKR1B1
SCHEMBL8400110 0.84 SMN1; SMN2 (0.41) AKR1A1AKR1B1
SCHEMBL8399638 0.83 AKR1B1 (0.44) AKR1A1AKR1B1
SCHEMBL8395381 0.83 SMN1; SMN2 (0.38) AKR1A1AKR1B1
SCHEMBL8395465 0.82 AKR1A1 (0.41) AKR1A1AKR1B1
SCHEMBL8399041 0.82 AKR1B1 (0.50) AKR1A1AKR1B1
SCHEMBL8395597 0.82 SMN1; SMN2 (0.51) AKR1A1AKR1B1
SCHEMBL8401819 0.82 SMN1; SMN2 (0.40) AKR1A1AKR1B1

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