SCHEMBL7533657

SCHEMBL7533657

Nc1cc(C#Cc2ccccc2)c(-c2cc(N)c(N)cc2C#Cc2ccccc2)cc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
NPC1 O15118 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
HPGD P15428 1/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HSD17B10 Q99714 1/20 0.63
APP P05067 1/20 0.52
PTPN1 P18031 1/20 0.51
PTPN11 Q06124 1/20 0.51
CA12 O43570 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL5231283 0.84 MAPT (0.55) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2265967 0.82 MAPT (0.57) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL7531908 0.79 MAPT (0.59) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL11682818 0.79 MAPT (0.59) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL11799215 0.77 CASP3 (0.51) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL929235 0.77 CYP3A4 (1.00) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL29532077 0.77 CYP3A4 (1.00) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL1195805 0.76 APP (0.71) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL23150841 0.76 APP (0.55) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL29428987 0.76 MAPT (0.95) MAPTNPC1CYP1A2CYP3A4CYP2C9

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3944614-A 2,2'-Bis(phenylethynyl-5,5'-diaminobenzidine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1976-03-16 US claimed
EP-0835275-B1 IMPROVED POLY(ARYLENE ETHER) COMPOSITIONS AND THE METHOD FOR THEIR MANUFACTURE ALLIED SIGNAL INC (US) 2002-04-03 EP disclosed
US-RE37599-E1 FROM PERFLUOROBENZENE OR FLUORINATED BENZENE POLYMERS AND AROMATIC DIOLS; USE IN COATING MICROELECTRONIC STRUCTURES, SUCH AS INTEGRATED CIRCUITS; LOW DIELECTRIC CONSTANT, LOW MOISTURE ABSORPTION, AND HIGH THERMAL STABILITY. ALLIEDSIGNAL INC. 2002-03-19 US disclosed
EP-0835274-B1 PROCESS FOR MAKING HYDROXY-SUBSTITUTED ETHYNYLATED BIPHENYLS ALLIED SIGNAL INC (US) 2000-04-26 EP disclosed
US-5986045-A REACTION OF HALOARYLENE COMPOUND WITH DIPHENOL COMPOUND TO FORM POLYARYLENE ETHER ALLIEDSIGNAL INC. (US) 1999-11-16 US disclosed
US-5959157-A Process for making hydroxy-substituted ethynylated biphenyl compounds ALLIEDSIGNAL, INC. (US) 1999-09-28 US disclosed
EP-0835274-A1 HYDROXY-SUBSTITUTED ETHYNYLATED BIPHENYLS AlliedSignal Inc. (US) 1998-04-15 EP disclosed
EP-0835275-A1 IMPROVED POLY(ARYLENE ETHER) COMPOSITIONS AND THE METHOD FOR THEIR MANUFACTURE AlliedSignal Inc. (US) 1998-04-15 EP disclosed
WO-1997001594-A1 HYDROXY-SUBSTITUTED ETHYNYLATED BIPHENYLS ALLIEDSIGNAL INC. (US) 1997-01-16 WO disclosed
WO-1997001593-A1 IMPROVED POLY(ARYLENE ETHER) COMPOSITIONS AND THE METHOD FOR THEIR MANUFACTURE ALLIEDSIGNAL INC. (US) 1997-01-16 WO disclosed
US-3944614-A 2,2'-Bis(phenylethynyl-5,5'-diaminobenzidine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1976-03-16 US disclosed
US-3944614-A 2,2'-Bis(phenylethynyl-5,5'-diaminobenzidine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1976-03-16 US disclosed
US-3944614-A 2,2'-Bis(phenylethynyl-5,5'-diaminobenzidine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1976-03-16 US disclosed