SCHEMBL8400555

SCHEMBL8400555

O=C(O)CCC(=O)N(Cc1nc2cc(F)cc(F)c2s1)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 10/20 0.44
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
FDFT1 P37268 1/20 0.34

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
SCHEMBL8399645 0.91 AKR1B1 (0.46) AKR1B1LMNAGAA
SCHEMBL8395897 0.88 AKR1B1 (0.44) AKR1B1LMNAGAA
SCHEMBL8398163 0.88 AKR1B1 (0.44) AKR1B1LMNAGAA
SCHEMBL8399149 0.88 SMN1; SMN2 (0.38) AKR1B1GAA
SCHEMBL8397936 0.87 AKR1B1 (0.48) AKR1B1LMNAGAA
SCHEMBL8396390 0.86 AKR1B1 (0.42) AKR1B1LMNAGAA
SCHEMBL8398844 0.86 AKR1B1 (0.42) AKR1B1GAA
SCHEMBL8518212 0.85 AKR1B1 (0.34) AKR1B1FDFT1
SCHEMBL8399220 0.84 AKR1A1 (0.48) AKR1B1
SCHEMBL8395765 0.84 AKR1B1 (0.48) AKR1B1

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