SCHEMBL9954256

SCHEMBL9954256

COc1ncc(Br)cc1NC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
IKBKB O14920 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
SHMT2 P34897 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NR3C2 P08235 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
SCHEMBL2067101 0.86 PIK3CD (0.42) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10288900 0.81 IKBKB (0.39) MAPTIKBKBKDM4ESMN1; SMN2SIRT6
SCHEMBL1771736 0.81 MEN1 (0.38) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL21500091 0.80 AAK1 (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29527107 0.80 AAK1 (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL15649386 0.77 DEGS1 (0.47) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL29066252 0.76 MAPT (0.37) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8125788 0.76 NNMT (0.46) MAPTKDM4ESIRT6ALDH1A1
SCHEMBL29527481 0.76 L3MBTL1 (0.51) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL114826 0.73 PIK3CD (0.52)

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed