SCHEMBL3348352

SCHEMBL3348352

COc1ncccc1-c1cc(F)cc(C#C[Si](C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.37
NAAA Q02083 2/20 0.37
BTK Q06187 1/20 0.36
ALK Q9UM73 1/20 0.36
SQOR Q9Y6N5 2/20 0.35
DHODH Q02127 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GRM5 P41594 1/20 0.34

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
SCHEMBL3351358 0.84 CYP11B2 (0.40) DHODHGRM5
SCHEMBL15674287 0.82 ALOX5AP (0.51) ALOX5APFEN1FFAR4NPC1RAB9A
SCHEMBL3348429 0.81 GRM5 (0.44) ALOX5APFEN1LOXL2NAAABTK
SCHEMBL3347568 0.78 GRM5 (0.38) ALOX5APFEN1FFAR4NPC1RAB9A
SCHEMBL15674555 0.74 ALOX5AP (0.52) ALOX5APFEN1FFAR4NPC1RAB9A
SCHEMBL29501268 0.72 NPC1 (0.56) ALOX5APFEN1FFAR4NPC1RAB9A
SCHEMBL15674356 0.72 NPC1 (0.56) ALOX5APFEN1FFAR4NPC1RAB9A
SCHEMBL3581826 0.69 CYP11B2 (0.44)
SCHEMBL852757 0.69 GRM5 (0.43) CA1GRM5
SCHEMBL26426502 0.69 GRM5 (0.52) NPC1RAB9ABTKCA1CA2

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-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed