SCHEMBL19789991

SCHEMBL19789991

Bc1ccc(C#Cc2ccc(C#Cc3ccc(B)cc3)c(C)c2B)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
GRM5 P41594 2/20 0.34
CA12 O43570 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
FFAR1 O14842 5/20 0.33
CA1 P00915 1/20 0.32
ACACB O00763 1/20 0.31
APP P05067 1/20 0.30

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
SCHEMBL19789972 0.93 APP (0.41) KCNH2GRM5CA12CA2CA9
SCHEMBL19790006 0.81 KCNH2 (0.34) KCNH2GRM5CA12CA2CA9
SCHEMBL12246439 0.78 KCNH2 (0.54) KCNH2GRM5CA12CA2CA9
SCHEMBL19790003 0.76 FFAR1 (0.40) KCNH2GRM5CA12CA2CA9
SCHEMBL19789980 0.75 APP (0.39) KCNH2GRM5CA12CA2CA9
SCHEMBL19789971 0.75 APP (0.39) KCNH2GRM5CA12CA2CA9
SCHEMBL19789990 0.75 APP (0.47) KCNH2GRM5CA12CA2CA9
SCHEMBL19308574 0.73 GRM5 (0.52) KCNH2GRM5CA12CA2CA9
SCHEMBL24390823 0.71 APP (0.41) KCNH2GRM5FFAR1APP
SCHEMBL19789973 0.71 APP (0.41) KCNH2GRM5FFAR1APP

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
EP-2794816-B1 LIQUID CRYSTAL MEDIUM AND HIGH FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed