SCHEMBL20717640

SCHEMBL20717640

Nc1cccc(C#CC#CC#CC#Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
FFAR1 O14842 1/20 0.49
ASIC3 Q9UHC3 1/20 0.47
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
PDK1 Q15118 1/20 0.45
MAOA P21397 4/20 0.45
CYP3A4 P08684 2/20 0.44
CASP1 P29466 1/20 0.44
RECQL P46063 1/20 0.44
APP P05067 1/20 0.44
ADRB2 P07550 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HCRTR1 O43613 1/20 0.41
MAOB P27338 4/20 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
SCHEMBL2266577 0.91 CYP3A4 (0.52) MAPTFFAR1ASIC3PIK3CAMTOR
SCHEMBL29462452 0.89 MAPT (0.62) MAPTFFAR1ASIC3PIK3CAMTOR
SCHEMBL2811255 0.89 MAPT (0.62) MAPTFFAR1ASIC3PIK3CAMTOR
SCHEMBL9611198 0.88 MAPT (0.56) MAPTFFAR1ASIC3PIK3CAMTOR
Hydrochloric Acid SCHEMBL7919919 0.87 MAPT (0.60) MAPTFFAR1ASIC3PIK3CAMTOR
SCHEMBL9611202 0.82 FFAR1 (0.59) MAPTFFAR1ASIC3PIK3CAMTOR
SCHEMBL4968126 0.82 CYP3A4 (0.58) MAPTFFAR1ASIC3PIK3CAMTOR
SCHEMBL22147223 0.80 MAPT (0.77) MAPTPIK3CAMTORPDK1MAOA
SCHEMBL22146913 0.80 MAPT (0.77) MAPTPIK3CAMTORPDK1MAOA
SCHEMBL16341408 0.79 CYP3A4 (0.44) MAPTFFAR1ASIC3PIK3CAMTOR

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-2019028430-A1 OPTICAL SUPER-MULTIPLEXING BY POLYYNES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-02-07 WO disclosed