SCHEMBL19917563

SCHEMBL19917563

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3C#N)cc(-n3c4ccccc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)c2C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.35
CYP1A2 P05177 6/20 0.34
CYP3A4 P08684 6/20 0.34
HSD17B10 Q99714 4/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
TRPA1 O75762 1/20 0.34
NR3C1 P04150 1/20 0.34
ALDH1A1 P00352 4/20 0.33
CLK4 Q9HAZ1 3/20 0.33
MAPK1 P28482 2/20 0.33
PDE10A Q9Y233 1/20 0.33
PGR P06401 1/20 0.33
PPARG P37231 1/20 0.33
USP2 O75604 2/20 0.31
CYP2D6 P10635 2/20 0.31

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
SCHEMBL21414290 0.97 CYP1A2 (0.37) ESR2CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL19917564 0.97 ESR2 (0.38) ESR2CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL19917515 0.93 ESR2 (0.35) ESR2CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL21414289 0.93 CYP1A2 (0.39) ESR2CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL19917586 0.92 GRIN1 (0.36) ESR2CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL19917520 0.92 ESR2 (0.36) ESR2CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL21546867 0.91 ADRA2C (0.36) ESR2CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL19917585 0.91 TRPA1 (0.40) ESR2CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL21414285 0.91 PGR (0.35) HSD17B10HPGDKDM4EMAPTALDH1A1
SCHEMBL21414286 0.90 TRPA1 (0.37) ESR2CYP1A2CYP3A4HSD17B10HPGD

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