SCHEMBL13883228

SCHEMBL13883228

B=C(Nc1ccc(C(F)(F)F)cc1)Nc1[nH]c(Cc2ccc(C(=O)NCCc3c[nH]cn3)cc2)nc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.38
MCHR1 Q99705 2/20 0.37
SNCA P37840 2/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
RAF1 P04049 1/20 0.36
EPHX2 P34913 3/20 0.35
TP53 P04637 3/20 0.35
LMNA P02545 2/20 0.35
F9 P00740 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL2816401 0.92 EPHX2 (0.42) NAMPTMCHR1SNCAMAPTPOLB
SCHEMBL2815271 0.79 LMNA (0.40) NAMPTMCHR1MAPTEPHX2TP53
SCHEMBL2815908 0.76 EPHX2 (0.44) NAMPTMCHR1EPHX2CNR1
SCHEMBL2812870 0.74 EPHX2 (0.43) MCHR1EPHX2
SCHEMBL2813625 0.73 KMT2A (0.46) NAMPTPOLBLMNA
SCHEMBL2816965 0.73 EPHX2 (0.53) NAMPTMAPTEPHX2
SCHEMBL2819274 0.72 EPHX2 (0.43) NAMPTMCHR1MAPTPOLBEPHX2
SCHEMBL2817947 0.72 HIF1A (0.48) NAMPTMAPTEPHX2LMNA
SCHEMBL17957269 0.71 LMNA (0.42) NAMPTMCHR1EPHX2TP53LMNA
SCHEMBL2813899 0.71 EPHX2 (0.46) NAMPTMAPTEPHX2CNR1

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-2009046804-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2009-04-16 WO disclosed