SCHEMBL9469223

SCHEMBL9469223

COc1ccc(C#Cc2cc(F)c(F)c(F)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.60
KCNH2 Q12809 1/20 0.47
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ACACB O00763 3/20 0.41
MCHR1 Q99705 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
TRPV3 Q8NET8 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
SCHEMBL9470391 0.85 APP (0.55) APPKCNH2CA12CA1CA2
SCHEMBL21903457 0.83 APP (0.75) APPKCNH2CA12CA1CA2
SCHEMBL13863707 0.82 APP (0.53) APPKCNH2
SCHEMBL9470591 0.81 NQO1 (0.50) ACACB
SCHEMBL674764 0.81 APP (0.77) APPKCNH2CA12CA1CA2
SCHEMBL10300057 0.81 APP (0.77) APPKCNH2CA12CA1CA2
SCHEMBL15014228 0.80 APP (0.59) APPKCNH2CA12CA1CA2
SCHEMBL91938 0.80 APP (0.50) APPKCNH2CA12CA1CA2
SCHEMBL673820 0.79 APP (0.69) APPKCNH2CA12CA1CA2
SCHEMBL27803325 0.79 APP (0.63) APPKCNH2CA12CA1CA2

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
US-5242618-A Liquid crystals MERCK PATENT GESELLSCHAFT (DE) 1993-09-07 US disclosed