SCHEMBL8399645

SCHEMBL8399645

O=C(O)CCC(=O)N(Cc1nc2cc(F)cc(F)c2s1)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 11/20 0.46
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
AKR1A1 P14550 1/20 0.35

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
SCHEMBL8398163 0.91 AKR1B1 (0.44) AKR1B1LMNAGAA
SCHEMBL8400555 0.91 AKR1B1 (0.44) AKR1B1LMNAGAA
SCHEMBL8395897 0.91 AKR1B1 (0.44) AKR1B1LMNAGAA
SCHEMBL8397936 0.89 AKR1B1 (0.48) AKR1B1LMNAGAA
SCHEMBL8396390 0.88 AKR1B1 (0.42) AKR1B1LMNAGAA
SCHEMBL8398844 0.88 AKR1B1 (0.42) AKR1B1GAA
SCHEMBL8395787 0.87 SMN1; SMN2 (0.40) AKR1B1GAA
SCHEMBL8399128 0.85 AKR1B1 (0.43) AKR1B1LMNA
SCHEMBL8399118 0.84 AKR1B1 (0.43) AKR1B1
SCHEMBL8395613 0.84 AKR1B1 (0.36) 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