SCHEMBL19917632

SCHEMBL19917632

N#Cc1ccccc1-c1cc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(C#N)c(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.39
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
TRPA1 O75762 1/20 0.37
CYP1A2 P05177 6/20 0.36
CYP3A4 P08684 6/20 0.36
HSD17B10 Q99714 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
CLK4 Q9HAZ1 3/20 0.36
MAPK1 P28482 2/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 2/20 0.35
CYP2D6 P10635 2/20 0.35

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
SCHEMBL19917631 0.97 TRPA1 (0.37) NR3C1GABRG2GABRB3SMN1; SMN2HIF1A
SCHEMBL21108336 0.92 TRPA1 (0.40) NR3C1GABRG2GABRB3SMN1; SMN2HIF1A
SCHEMBL19917633 0.91 SMN1; SMN2 (0.41) NR3C1GABRG2GABRB3SMN1; SMN2HIF1A
SCHEMBL19917568 0.90 SMN1; SMN2 (0.39) NR3C1GABRG2GABRB3SMN1; SMN2HIF1A
SCHEMBL20114674 0.90 NR3C1 (0.42) NR3C1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19917612 0.89 ESR2 (0.40) NR3C1GABRG2GABRB3SMN1; SMN2HIF1A
SCHEMBL19942792 0.89 ADORA1 (0.40) SMN1; SMN2HIF1ACYP1A2CYP3A4HSD17B10
SCHEMBL23487786 0.89 GABRG2 (0.42) NR3C1GABRG2GABRB3SMN1; SMN2HIF1A
SCHEMBL19917566 0.89 CYP1A2 (0.39) NR3C1GABRG2GABRB3SMN1; SMN2HIF1A
SCHEMBL21365063 0.88 NR3C1 (0.42) NR3C1GABRG2GABRB3GABRA5GABRA3

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