SCHEMBL1904483

SCHEMBL1904483

Nc1ccc(CNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C(O)Cc2ccc(F)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KLKB1 P03952 4/20 0.39
ALDH1A1 P00352 1/20 0.39
MASP2 O00187 1/20 0.38
KLK1 P06870 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NOS2 P35228 1/20 0.38
VNN1 O95497 1/20 0.38
TP53 P04637 1/20 0.38
CTSL P07711 1/20 0.38
FURIN P09958 1/20 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
SCHEMBL1904480 1.00 NAMPT (0.45) NAMPTPOLBRAB9AKLKB1ALDH1A1
SCHEMBL1901348 0.91 KLKB1 (0.42) NAMPTKLKB1MASP2KLK1KMT2A
SCHEMBL1901351 0.91 KLKB1 (0.42) NAMPTKLKB1MASP2KLK1KMT2A
SCHEMBL1903197 0.91 ALDH1A1 (0.49) NAMPTKLKB1ALDH1A1MASP2KLK1
SCHEMBL1906052 0.91 KLKB1 (0.47) KLKB1MASP2KLK1
SCHEMBL1902345 0.91 KLKB1 (0.47) KLKB1MASP2KLK1
SCHEMBL1903189 0.91 ALDH1A1 (0.49) NAMPTKLKB1ALDH1A1MASP2KLK1
SCHEMBL1904105 0.91 NAMPT (0.44) NAMPTKLKB1ALDH1A1MASP2KLK1
SCHEMBL1904109 0.91 NAMPT (0.44) NAMPTKLKB1ALDH1A1MASP2KLK1
SCHEMBL1905072 0.90 NAMPT (0.46) NAMPTKLKB1ALDH1A1MASP2MEN1

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 claimed