SCHEMBL7693340

SCHEMBL7693340

Cc1nc2ccc(C(=O)NCC(C(=O)O)c3ccc(Cl)cc3)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 12/20 0.38
BRD4 O60885 3/20 0.38
PPARG P37231 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.37
PTGFR P43088 2/20 0.37

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
SCHEMBL7987986 0.80 ACSS2 (0.47) ACSS2BRD4
SCHEMBL6785980 0.75 TDP1 (0.47) ACSS2BRD4HTTSMN1; SMN2HPGD
SCHEMBL7984945 0.72 TP53 (0.47) BRD4HPGD
SCHEMBL192206 0.71 GAA (0.46) PPARG
SCHEMBL192205 0.71 GAA (0.46) PPARG
SCHEMBL23564593 0.71 GAA (0.46) PPARG
SCHEMBL7480954 0.68 ESR2 (0.41) BRD4
SCHEMBL30847402 0.68 USP30 (0.39) SMN1; SMN2
SCHEMBL12158 0.68 USP30 (0.39) SMN1; SMN2
SCHEMBL6224033 0.67 BRD4 (0.44) BRD4HTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002016327-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS NEUTROPHIL INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-02-28 WO disclosed