SCHEMBL7472841

SCHEMBL7472841

Nc1[nH]nc(-c2ccc(F)cc2)c1C(=O)c1cccc(O)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 3/20 0.44
HSD17B1 P14061 11/20 0.43
HSD17B2 P37059 11/20 0.43
MAP2K4 P45985 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPK6 Q16659 1/20 0.40
PARP1 P09874 1/20 0.39
FASN P49327 1/20 0.38

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
SCHEMBL5762375 0.89 PBRM1 (0.44) HSD17B14MAP2K4MAPK1MAPK6
SCHEMBL7474871 0.86 MAP2K4 (0.39) HSD17B14MAP2K4MAPK1MAPK6
SCHEMBL7476723 0.86 PARP1 (0.40) HSD17B14MAP2K4MAPK1MAPK6PARP1
SCHEMBL7480868 0.86 NPY5R (0.41) HSD17B14MAP2K4MAPK1MAPK6
SCHEMBL7476607 0.84 MAPK1 (0.38) HSD17B14MAP2K4MAPK1MAPK6
SCHEMBL7469135 0.83 PTPN1 (0.41) HSD17B14MAP2K4MAPK1MAPK6
SCHEMBL7473487 0.83 VNN1 (0.49) MAP2K4PARP1
SCHEMBL7477623 0.83 MAP2K4 (0.49) MAP2K4
SCHEMBL1383396 0.82 MAPK14 (0.52) HSD17B14MAP2K4MAPK1MAPK6
SCHEMBL7474456 0.82 MAPK14 (0.52) MAP2K4MAPK1MAPK6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218346-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-07-03 EP disclosed
WO-2001021591-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-29 WO disclosed
EP-1075467-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-02-14 EP disclosed
WO-1999057101-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-11 WO disclosed