SCHEMBL4309246

SCHEMBL4309246

CCOc1ccc([C@@H](C(N)=O)C(=O)NCc2ccc(N)nc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
MASP2 O00187 1/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KLKB1 P03952 2/20 0.41
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
NAMPT P43490 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KLK1 P06870 1/20 0.40

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
SCHEMBL4312613 0.90 SMN1; SMN2 (0.45) MEN1KMT2AMASP2POLBNPC1
SCHEMBL4309387 0.84 NAMPT (0.44) MASP2NAMPT
SCHEMBL4310295 0.83 CYP2C9 (0.46) MEN1KMT2AMASP2RAB9AEPHX2
SCHEMBL4313762 0.83 NAMPT (0.56) MEN1KMT2AMASP2NAMPT
SCHEMBL4303439 0.83 NAMPT (0.53) MEN1KMT2AMASP2POLBEPHX2
SCHEMBL4303085 0.83 EPHX2 (0.44) LMNAMASP2EPHX2NR1H4NAMPT
SCHEMBL3144606 0.83 MASP2 (0.47) MEN1KMT2ALMNAMAPK1MASP2
SCHEMBL4318995 0.81 NAMPT (0.49) LMNAMASP2EPHX2NAMPT
SCHEMBL4318894 0.81 MEN1 (0.45) MEN1KMT2AMASP2POLBNAMPT
SCHEMBL4304420 0.79 MEN1 (0.47) MEN1KMT2ALMNAMASP2POLB

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