SCHEMBL8400507

SCHEMBL8400507

CSc1ccc(N(Cc2nc3cc(F)cc(F)c3s2)C(=O)CCC(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 8/20 0.40
STK17B O94768 1/20 0.34
MAP3K8 P41279 1/20 0.34
STK17A Q9UEE5 1/20 0.34
GAA P10253 1/20 0.33
TBXA2R P21731 1/20 0.32
LMNA P02545 1/20 0.31

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 0.90 AKR1B1 (0.43) AKR1B1LMNA
SCHEMBL8398694 0.90 AKR1B1 (0.40) AKR1B1STK17BGAALMNA
SCHEMBL8399244 0.89 AKR1B1 (0.44) AKR1B1GAA
SCHEMBL8399296 0.89 SMN1; SMN2 (0.38) AKR1B1GAALMNA
SCHEMBL8399618 0.89 AKR1B1 (0.38) AKR1B1GAA
SCHEMBL8397936 0.88 AKR1B1 (0.48) AKR1B1GAALMNA
SCHEMBL8398008 0.87 AKR1B1 (0.41) AKR1B1GAALMNA
SCHEMBL8395765 0.87 AKR1B1 (0.48) AKR1B1TBXA2R
SCHEMBL8396238 0.86 AKR1B1 (0.40) AKR1B1GAALMNA
SCHEMBL8400194 0.86 AKR1B1 (0.40) AKR1B1LMNA

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