SCHEMBL3725849

SCHEMBL3725849

COc1ccc(Oc2cnc(C#N)cn2)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.44
PGR P06401 2/20 0.42
MAPK10 P53779 2/20 0.40
MAPK8 P45983 1/20 0.40
CTSS P25774 1/20 0.40

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
SCHEMBL3730195 0.86 AR (0.48) ARPGRCTSS
SCHEMBL3719152 0.81 AR (0.48) ARPGRCTSS
SCHEMBL756605 0.77 AR (0.52) ARPGR
SCHEMBL3725903 0.76 SLC22A12 (0.45) ARPGRMAPK10MAPK8CTSS
SCHEMBL15832067 0.73 AR (0.54) ARPGR
SCHEMBL15832056 0.73 AR (0.61) ARPGR
Trifluoroacetic Acid SCHEMBL3722062 0.72 MAPK10 (0.44) MAPK10MAPK8
SCHEMBL29775318 0.72 CA12 (0.56) ARPGR
SCHEMBL12422332 0.72 CA12 (0.56) ARPGR
SCHEMBL8116738 0.71 L3MBTL1 (0.47) ARPGR

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-2010097373-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed