SCHEMBL8399252

SCHEMBL8399252

CCCc1csc(N(Cc2nc3c(F)c(F)ccc3s2)C(=O)CCC(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.36
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8400724 0.90 SMN1; SMN2 (0.33) AKR1B1LMNAGAASMN1; SMN2
SCHEMBL8400727 0.88 AKR1B1 (0.38) AKR1B1LMNAGAAHDAC6
SCHEMBL8395543 0.86
SCHEMBL8396325 0.85 HDAC6 (0.31) AKR1B1GAAHDAC6SMN1; SMN2
SCHEMBL8395928 0.85 AKR1B1 (0.36) AKR1B1GAAHDAC6SMN1; SMN2
SCHEMBL8396397 0.85 AKR1B1 (0.38) AKR1B1LMNAGAAMAPTSMN1; SMN2
SCHEMBL8395485 0.80 SMN1; SMN2 (0.34) AKR1B1LMNAMAPTSMN1; SMN2
SCHEMBL8398941 0.79 AKR1B1 (0.39) AKR1B1LMNAGAAMAPTSMN1; SMN2
SCHEMBL8399620 0.79 AKR1B1 (0.39) AKR1B1LMNAGAAHDAC6
SCHEMBL8396329 0.79 AKR1B1 (0.38) AKR1B1LMNAHDAC6MAPTSMN1; SMN2

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