SCHEMBL8399620

SCHEMBL8399620

CCCc1csc(N(Cc2nc3cc(F)cc(F)c3s2)C(=O)CCC(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.39
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.32
HDAC6 Q9UBN7 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL8395359 0.90 AKR1B1 (0.36) AKR1B1GAALMNA
SCHEMBL8400510 0.88 AKR1B1 (0.43) AKR1B1GAALMNA
SCHEMBL8396325 0.86 HDAC6 (0.31) AKR1B1GAAHDAC6
SCHEMBL8395543 0.85
SCHEMBL8396238 0.85 AKR1B1 (0.40) AKR1B1GAALMNA
SCHEMBL8399299 0.80 AKR1B1 (0.37) AKR1B1LMNARAB9A
SCHEMBL8399252 0.79 AKR1B1 (0.36) AKR1B1GAALMNAHDAC6
SCHEMBL8400193 0.79 AKR1B1 (0.40) AKR1B1GAALMNA
SCHEMBL8399128 0.78 AKR1B1 (0.43) AKR1B1LMNA
SCHEMBL8397936 0.78 AKR1B1 (0.48) AKR1B1GAALMNA

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