SCHEMBL16631499

SCHEMBL16631499

CCc1cccc(C#Cc2ccc(C)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
KCNH2 Q12809 1/20 0.46
FFAR1 O14842 6/20 0.45
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGES O14684 3/20 0.40
GRM5 P41594 3/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
CYP2D6 P10635 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL27874223 0.86 TP53 (0.52) CA12CA1CA2CA9KCNH2
SCHEMBL3859050 0.86 CA12 (0.47) CA12CA1CA2CA9KCNH2
SCHEMBL17954217 0.82 FFAR1 (0.57) FFAR1PTGES
SCHEMBL27941338 0.81 CA12 (0.46) CA12CA1CA2CA9KCNH2
SCHEMBL9742616 0.80 ASIC3 (0.51) CA12CA1CA2CA9KCNH2
SCHEMBL7503100 0.80 CYP2A6 (0.54) CA12CA1CA2CA9KCNH2
SCHEMBL9328231 0.80 CYP2A6 (0.54) CA12CA1CA2CA9KCNH2
SCHEMBL30887043 0.79 TP53 (0.41) FFAR1PTGESGRM5RAPGEF4CYP2D6
SCHEMBL233927 0.78 CA12 (0.48) CA12CA1CA2CA9KCNH2
SCHEMBL16631365 0.77 CA12 (0.47) CA12CA1CA2CA9KCNH2

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-2015051045-A2 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed