SCHEMBL4308748

SCHEMBL4308748

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 3/20 0.44
NAMPT P43490 3/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
MMP13 P45452 1/20 0.39
CDK8 P49336 2/20 0.39
VNN1 O95497 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 1/20 0.39
HDAC1 Q13547 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
SCHEMBL4309422 0.86 NAMPT (0.43) MASP2NAMPTCDK8VNN1HDAC1
SCHEMBL4306839 0.86 NAMPT (0.47) MASP2NAMPTMEN1KMT2ACDK8
SCHEMBL4304420 0.86 MEN1 (0.47) MASP2NAMPTMEN1KMT2ACDK8
SCHEMBL4303439 0.86 NAMPT (0.53) MASP2NAMPTMEN1KMT2AF2
SCHEMBL4312874 0.84 VNN1 (0.55) MASP2NAMPTVNN1
SCHEMBL4309586 0.84 F2 (0.45) NAMPTMEN1KMT2ARECQLF2
SCHEMBL4305726 0.81 NAMPT (0.45) MASP2NAMPTMEN1KMT2AVNN1
SCHEMBL4308746 0.81 NAMPT (0.41) MASP2NAMPTMEN1KMT2A
SCHEMBL4307976 0.80 NAMPT (0.49) MASP2NAMPTMEN1KMT2AHDAC1
SCHEMBL4309387 0.80 NAMPT (0.44) MASP2NAMPTF2PRSS1HDAC1

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-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO disclosed