SCHEMBL7531908

SCHEMBL7531908

Nc1ccc(C#Cc2ccccc2)c(-c2cc(N)ccc2C#Cc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
NPC1 O15118 4/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP3A4 P08684 3/20 0.53
MEN1 O00255 2/20 0.53
HPGD P15428 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
APP P05067 3/20 0.48
PTPN1 P18031 1/20 0.45
PTPN11 Q06124 1/20 0.45
ASIC3 Q9UHC3 1/20 0.42
RAB9A P51151 3/20 0.42
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42

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
SCHEMBL11682818 0.88 MAPT (0.59) MAPTNPC1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL3275176 0.86 MAPT (0.61) MAPTNPC1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL15544149 0.81 MAPT (0.55) MAPTNPC1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7533657 0.79 MAPT (0.63) MAPTNPC1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL2812544 0.77 MAPT (0.55) MAPTNPC1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL5501538 0.77 MAPT (0.50) MAPTNPC1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL31095607 0.77 MAPT (0.50) MAPTNPC1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL5495682 0.77 MAPT (0.50) MAPTNPC1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7529479 0.76 APP (0.48) MAPTNPC1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL949266 0.76 APP (0.48) MAPTNPC1ALDH1A1SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4045409-A Thermally stable, highly fused imide compositions THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1977-08-30 US claimed
US-4038320-A PHENYLETHYNYL SUBSTITUTED AROMATIC DIAMINES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1977-07-26 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-4782184-A Method for making ethynylated aromatic compounds HUGHES AIRCRAFT COMPANY (US) 1988-11-01 US disclosed
US-4615842-A Method for making ethynylated aromatic compounds and a method for making nitronium trifluoromethanesulfonate HUGHES AIRCRAFT COMPANY (US) 1986-10-07 US disclosed
US-4045409-A Thermally stable, highly fused imide compositions THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1977-08-30 US disclosed
US-4045409-A Thermally stable, highly fused imide compositions THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1977-08-30 US disclosed
US-4038320-A PHENYLETHYNYL SUBSTITUTED AROMATIC DIAMINES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1977-07-26 US disclosed
US-4038320-A PHENYLETHYNYL SUBSTITUTED AROMATIC DIAMINES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1977-07-26 US disclosed