SCHEMBL4303085

SCHEMBL4303085

CC(C)(C)c1ccc([C@@H](C(N)=O)C(=O)NCc2ccc(N)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
NR1H4 Q96RI1 1/20 0.44
MASP2 O00187 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NAMPT P43490 1/20 0.41
FURIN P09958 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
SCHEMBL4318894 0.88 MEN1 (0.45) MASP2NAMPT
SCHEMBL4309387 0.85 NAMPT (0.44) MASP2NAMPTFURIN
SCHEMBL4310295 0.84 CYP2C9 (0.46) EPHX2MASP2NAMPT
SCHEMBL4313762 0.84 NAMPT (0.56) MASP2NAMPT
SCHEMBL4303439 0.84 NAMPT (0.53) EPHX2MASP2NAMPT
SCHEMBL4312613 0.84 SMN1; SMN2 (0.45) MASP2ALDH1A1HTTNAMPT
SCHEMBL4309246 0.83 MEN1 (0.43) EPHX2NR1H4MASP2LMNANAMPT
SCHEMBL3139988 0.82 MASP2 (0.48) EPHX2NR1H4MASP2ALDH1A1LMNA
SCHEMBL4318995 0.82 NAMPT (0.49) EPHX2MASP2ALDH1A1LMNANAMPT
SCHEMBL4305726 0.79 NAMPT (0.45) MASP2NAMPTFURIN

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