SCHEMBL19917518

SCHEMBL19917518

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3C#N)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)c2C#N)c(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.37
CYP1A2 P05177 6/20 0.36
CYP3A4 P08684 6/20 0.36
HSD17B10 Q99714 4/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
TRPA1 O75762 1/20 0.36
NR3C1 P04150 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CLK4 Q9HAZ1 3/20 0.35
MAPK1 P28482 2/20 0.35
ESR2 Q92731 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PTGER4 P35408 1/20 0.34
USP2 O75604 2/20 0.33

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
SCHEMBL19917521 0.97 CYP1A2 (0.38) STSCYP1A2CYP3A4HSD17B10HPGD
SCHEMBL19917514 0.94 STS (0.37) STSCYP1A2CYP3A4HSD17B10HPGD
SCHEMBL19917613 0.92 ESR2 (0.35) CYP1A2CYP3A4HSD17B10HPGDKDM4E
SCHEMBL19917585 0.92 TRPA1 (0.40) CYP1A2CYP3A4HSD17B10HPGDKDM4E
SCHEMBL21414292 0.91 STS (0.37) STSCYP1A2CYP3A4HSD17B10HPGD
SCHEMBL19917520 0.91 ESR2 (0.36) CYP1A2CYP3A4HSD17B10HPGDKDM4E
SCHEMBL21546829 0.89 STS (0.36) STSCYP1A2CYP3A4ALDH1A1CLK4
SCHEMBL19917586 0.89 GRIN1 (0.36) CYP1A2CYP3A4HSD17B10HPGDKDM4E
SCHEMBL20616799 0.89 AR (0.46) STSCYP1A2CYP3A4TRPA1NR3C1
SCHEMBL25658554 0.89 AR (0.41) CYP1A2CYP3A4HSD17B10HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3504200-B1 HETEROCYCLICALLY SUBSTITUTED BIPHENYLS, ESPECIALLY FOR USE IN OPTOELECTRONIC APPARATUSES CYNORA GMBH (DE) 2021-01-20 EP disclosed
WO-2018037069-A1 HETEROCYCLICALLY SUBSTITUTED BIPHENYLS, ESPECIALLY FOR USE IN OPTOELECTRONIC APPARATUSES CYNORA GMBH (DE) 2018-03-01 WO disclosed