SCHEMBL4410475

SCHEMBL4410475

C(#Cc1cccc(C#Cc2ccncc2)c1)c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.52
APP P05067 1/20 0.46
HDAC8 Q9BY41 1/20 0.44
HAO1 Q9UJM8 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
PIK3CG P48736 1/20 0.43
PDK1 Q15118 1/20 0.43
MAPT P10636 1/20 0.41

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
SCHEMBL13907329 0.87 HDAC8 (0.50) GRM5APPHDAC8PIK3CDPIK3CA
SCHEMBL31510376 0.86 GRM5 (0.50) GRM5HAO1
SCHEMBL4312379 0.85 GRM5 (0.47) GRM5APPHDAC8HAO1PIK3CD
SCHEMBL27952686 0.85 CA12 (0.53) GRM5HAO1
SCHEMBL2925968 0.84 APP (0.67) GRM5APPHDAC8PIK3CDPIK3CA
SCHEMBL1820120 0.84 HDAC8 (0.58) GRM5APPHDAC8PIK3CDPIK3CA
SCHEMBL4324850 0.83 ASIC3 (0.53) GRM5APPHAO1PIK3CDPIK3CA
SCHEMBL17224548 0.82 APP (0.63) GRM5APPHDAC8PIK3CDPIK3CA
SCHEMBL1649302 0.81 HDAC8 (0.55) GRM5APPHDAC8PIK3CDPIK3CA
SCHEMBL12873256 0.81 ASIC3 (0.56) GRM5APPHAO1PIK3CDPIK3CA

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-20090318663-A1 Polymerizable Spherical Transition Metal Complex, Spherical Transition Metal Complex, and Production Method Thereof UNIVERSITY OF TOKYO, THE (JP) 2009-12-24 US disclosed