SCHEMBL2641240

SCHEMBL2641240

Cn1ncc2cc(-c3ncc(F)o3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.60
TRPA1 O75762 1/20 0.48
FAAH O00519 2/20 0.43
AR P10275 3/20 0.42
KDM5B Q9UGL1 1/20 0.42
SRC P12931 2/20 0.40
USP7 Q93009 1/20 0.40
LRRK2 Q5S007 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
MAOB P27338 1/20 0.38
USP30 Q70CQ3 1/20 0.38
KDM1A O60341 2/20 0.38
CDC7 O00311 1/20 0.38
TRPM5 Q9NZQ8 1/20 0.38

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
SCHEMBL1508008 0.75 APP (1.00) APPTRPA1FAAH
SCHEMBL20004068 0.72 TRPA1 (0.55) APPTRPA1FAAHARKDM1A
SCHEMBL19998605 0.72 TRPA1 (0.51) APPTRPA1FAAHARCCNC
SCHEMBL29304447 0.71 TRPA1 (0.48) APPTRPA1FAAHARKDM5B
SCHEMBL19998599 0.71 TRPA1 (0.48) APPTRPA1FAAHARKDM5B
SCHEMBL13106148 0.71 HTR2A (0.53) APPTRPA1MAOBCDC7TRPM5
SCHEMBL20004107 0.71 TRPA1 (0.50) APPTRPA1FAAHARCCNC
SCHEMBL13680459 0.71 APP (0.49) APPTRPA1FAAHARKDM5B
SCHEMBL15345061 0.70 TRPA1 (0.47) APPTRPA1ARKDM5BSRC
SCHEMBL15341811 0.70 TRPA1 (0.44) APPTRPA1FAAHARKDM5B

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
JP-2011524864-A 2011-09-08 JP claimed
WO-2009155017-A2 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK & CO., INC. (US) 2009-12-23 WO claimed