SCHEMBL8399158

SCHEMBL8399158

CCc1cccc(N(Cc2nc3cc(F)cc(F)c3s2)C(=O)CCC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.41
LTB4R2 Q9NPC1 5/20 0.38
GAA P10253 1/20 0.37
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL8400345 0.90 SMN1; SMN2 (0.40) AKR1B1LTB4R2GAALMNA
SCHEMBL8399118 0.89 AKR1B1 (0.43) AKR1B1LTB4R2PKMPTGDR2
SCHEMBL8397923 0.89 AKR1B1 (0.42) AKR1B1LTB4R2LMNA
SCHEMBL8397936 0.88 AKR1B1 (0.48) AKR1B1GAALMNA
SCHEMBL8396078 0.87 LTB4R2 (0.40) AKR1B1LTB4R2LMNA
SCHEMBL8396071 0.87 LTB4R2 (0.36) LTB4R2PKMLMNAPTGDR2
SCHEMBL8398031 0.87 AKR1B1 (0.42) AKR1B1LTB4R2GAAPKMLMNA
SCHEMBL8396406 0.87 AKR1B1 (0.46) AKR1B1LTB4R2LMNA
SCHEMBL8400191 0.86 AKR1B1 (0.39) AKR1B1LTB4R2GAALMNAPTGDR2
SCHEMBL8398694 0.86 AKR1B1 (0.40) AKR1B1LTB4R2GAALMNA

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