SCHEMBL4313762

SCHEMBL4313762

NC(=O)[C@@H](C(=O)NCc1ccc(N)nc1)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.56
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MASP2 O00187 3/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41

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
SCHEMBL4307976 0.89 NAMPT (0.49) NAMPTMEN1KMT2AMASP2GABRP
SCHEMBL4309387 0.89 NAMPT (0.44) NAMPTMASP2GABRPGABRDGABRA1
SCHEMBL4310295 0.88 CYP2C9 (0.46) NAMPTMEN1KMT2AMASP2GABRP
SCHEMBL4303439 0.87 NAMPT (0.53) NAMPTMEN1KMT2AMASP2GABRP
SCHEMBL4318894 0.87 MEN1 (0.45) NAMPTMEN1KMT2AMASP2PDPK1
SCHEMBL4305726 0.87 NAMPT (0.45) NAMPTMEN1KMT2AMASP2GABRP
Hydrochloric Acid SCHEMBL4303528 0.86 NAMPT (0.44) NAMPTMEN1KMT2AMASP2GABRP
SCHEMBL4306839 0.86 NAMPT (0.47) NAMPTMEN1KMT2AMASP2PDPK1
SCHEMBL4318995 0.85 NAMPT (0.49) NAMPTMASP2GABRPGABRDGABRA1
SCHEMBL4303085 0.84 EPHX2 (0.44) NAMPTMASP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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