SCHEMBL8397936

SCHEMBL8397936

O=C(O)CCC(=O)N(Cc1nc2cc(F)cc(F)c2s1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 10/20 0.48
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.37
HPGD P15428 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
SCHEMBL8399128 0.94 AKR1B1 (0.43) AKR1B1LMNA
SCHEMBL8399118 0.93 AKR1B1 (0.43) AKR1B1
SCHEMBL8399244 0.91 AKR1B1 (0.44) AKR1B1GAA
SCHEMBL8398008 0.91 AKR1B1 (0.41) AKR1B1LMNAGAA
SCHEMBL8395765 0.91 AKR1B1 (0.48) AKR1B1
SCHEMBL8396406 0.90 AKR1B1 (0.46) AKR1B1LMNA
SCHEMBL8398031 0.90 AKR1B1 (0.42) AKR1B1LMNAGAA
SCHEMBL8397923 0.90 AKR1B1 (0.42) AKR1B1LMNA
SCHEMBL8399645 0.89 AKR1B1 (0.46) AKR1B1LMNAGAA
SCHEMBL8399158 0.88 AKR1B1 (0.41) AKR1B1LMNAGAA

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