SCHEMBL19917593

SCHEMBL19917593

N#Cc1ccccc1-c1cc(-n2c3cc(-c4ccccc4C#N)ccc3c3ccc(-c4ccccc4C#N)cc32)c(C#N)c(-n2c3cc(-c4ccccc4C#N)ccc3c3ccc(-c4ccccc4C#N)cc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
TRPA1 O75762 1/20 0.43
NR3C1 P04150 1/20 0.39
CYP1A2 P05177 6/20 0.39
CYP3A4 P08684 6/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
USP2 O75604 2/20 0.36

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
SCHEMBL19917588 0.96 TRPA1 (0.40) ESR2TRPA1NR3C1CYP1A2CYP3A4
SCHEMBL19917617 0.93 SMN1; SMN2 (0.42) ESR2TRPA1NR3C1CYP1A2CYP3A4
SCHEMBL19917533 0.93 AR (0.44) ESR2TRPA1NR3C1CYP1A2CYP3A4
SCHEMBL19917517 0.91 ESR2 (0.38) ESR2TRPA1NR3C1CYP1A2CYP3A4
SCHEMBL22156667 0.90 NR3C1 (0.42) ESR2TRPA1NR3C1CYP1A2CYP3A4
SCHEMBL19917561 0.90 ESR2 (0.38) ESR2TRPA1NR3C1CYP1A2CYP3A4
SCHEMBL22898471 0.90 ESR2 (0.38) ESR2TRPA1CYP1A2CYP3A4ALDH1A1
SCHEMBL22155944 0.89 NR3C1 (0.39) ESR2TRPA1NR3C1CYP1A2CYP3A4
SCHEMBL19919541 0.89 PDE10A (0.41) ESR2TRPA1NR3C1CYP1A2CYP3A4
SCHEMBL22898462 0.89 GRIN1 (0.37) ESR2TRPA1NR3C1CYP1A2CYP3A4

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