SCHEMBL1900464

SCHEMBL1900464

Cc1cccc([C@H](CNC(=O)[C@H](O)Cc2ccccc2)C(=O)NCc2ccc(N)nc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
F2 P00734 3/20 0.40
PRSS1 P07477 3/20 0.40
F3 P13726 3/20 0.39
F10 P00742 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
NAMPT P43490 1/20 0.38
CPB1 P15086 1/20 0.37
ADA P00813 1/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1908031 0.89 MEN1 (0.41) MEN1KMT2ABACE1BACE2F2
SCHEMBL1902822 0.89 BACE1 (0.40) MASP2BACE1BACE2F2PRSS1
SCHEMBL1905848 0.89 BACE1 (0.40) MASP2BACE1BACE2F2PRSS1
SCHEMBL1907931 0.85 BACE1 (0.40) MASP2BACE1BACE2F2PRSS1
SCHEMBL1902876 0.85 BACE1 (0.40) MASP2BACE1BACE2F2PRSS1
SCHEMBL1902350 0.85 MASP2 (0.41) MASP2BACE1BACE2F2PRSS1
SCHEMBL1908077 0.85 F3 (0.38) MEN1KMT2ABACE1BACE2F2
SCHEMBL1907648 0.84 BACE1 (0.44) MASP2BACE1BACE2F2PRSS1
SCHEMBL1902346 0.84 BACE1 (0.44) MASP2MEN1KMT2ABACE1BACE2
SCHEMBL1906781 0.82 BACE1 (0.42) MASP2BACE1BACE2NAMPT

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