SCHEMBL6472152

SCHEMBL6472152

N#Cc1ccc(Cc2c[nH]c(=O)c(Br)c2OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
PNP P00491 1/20 0.43
DPYD Q12882 1/20 0.41
AR P10275 1/20 0.38
DAO P14920 2/20 0.38
SMPD1 P17405 1/20 0.37
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IMPDH2 P12268 1/20 0.35

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
SCHEMBL6472862 0.85 IMPDH2 (0.40) MAOBPNPDPYDPOLBGAA
SCHEMBL6472836 0.83 NR4A1 (0.47) PNPDPYDSMN1; SMN2
SCHEMBL6652475 0.83 DPYD (0.41) PNPDPYDPOLBSMN1; SMN2
SCHEMBL6472856 0.83 MAOB (0.48) MAOBARDAOPOLBIMPDH2
SCHEMBL6472151 0.81 PARP10 (0.49) MAOBPNPDPYD
SCHEMBL6647198 0.81 PNP (0.40) PNPDPYDPOLBGAASMN1; SMN2
SCHEMBL6652195 0.79 MAPK14 (0.38) MAOBPNPDPYDDAOGAA
SCHEMBL6472682 0.79 LMNA (0.49) NPC1RAB9ASMN1; SMN2
SCHEMBL6471640 0.79 DPYD (0.41) MAOBPNPDPYDPOLBGAA
SCHEMBL6471088 0.76 THRA (0.45) DPYDPOLBSMN1; SMN2

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-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed