SCHEMBL1904039

SCHEMBL1904039

CC(C)C(O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MASP2 O00187 3/20 0.43
FURIN P09958 1/20 0.42
KLKB1 P03952 3/20 0.42
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ANPEP P15144 1/20 0.39
MMP8 P22894 1/20 0.39
MAPK1 P28482 1/20 0.39
CPB2 Q96IY4 1/20 0.39
SMO Q99835 1/20 0.39

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
SCHEMBL1904034 1.00 NAMPT (0.46) NAMPTMEN1KMT2AMASP2FURIN
SCHEMBL1906161 1.00 NAMPT (0.46) NAMPTMEN1KMT2AMASP2FURIN
SCHEMBL1899808 0.89 PSMB1 (0.43) NAMPTMASP2FURINKLKB1CPB2
SCHEMBL1906175 0.89 PSMB1 (0.43) NAMPTMASP2FURINKLKB1CPB2
SCHEMBL1902458 0.89 PSMB1 (0.43) NAMPTMASP2FURINKLKB1CPB2
SCHEMBL1906713 0.88 ANPEP (0.45) NAMPTMEN1KMT2AMASP2FURIN
SCHEMBL1904596 0.88 ANPEP (0.45) NAMPTMEN1KMT2AMASP2FURIN
SCHEMBL1432543 0.88 NAMPT (0.45) NAMPTMEN1KMT2AMASP2FURIN
SCHEMBL3140017 0.88 NAMPT (0.45) NAMPTMEN1KMT2AMASP2FURIN
SCHEMBL1432007 0.88 NAMPT (0.46) NAMPTMEN1KMT2AMASP2FURIN

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-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO disclosed