SCHEMBL19917552

SCHEMBL19917552

N#Cc1ccccc1-c1cc(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
TRPA1 O75762 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HIF1A Q16665 1/20 0.38
PDE10A Q9Y233 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
IMPDH2 P12268 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 1/20 0.37
PARP1 P09874 1/20 0.36
NR3C1 P04150 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 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
SCHEMBL19917585 0.93 TRPA1 (0.40) ESR2TRPA1SMN1; SMN2HIF1APDE10A
SCHEMBL19917588 0.93 TRPA1 (0.40) ESR2TRPA1SMN1; SMN2HIF1APDE10A
SCHEMBL19917629 0.92 NR3C1 (0.39) ESR2TRPA1SMN1; SMN2HIF1APDE10A
SCHEMBL19917630 0.92 NR3C1 (0.37) ESR2TRPA1SMN1; SMN2HIF1APDE10A
SCHEMBL19917613 0.91 ESR2 (0.35) ESR2TRPA1SMN1; SMN2HIF1APDE10A
SCHEMBL19917611 0.90 GABRA1 (0.37) ESR2TRPA1SMN1; SMN2HIF1AGABRG2
SCHEMBL19917610 0.90 GABRA1 (0.37) ESR2TRPA1SMN1; SMN2HIF1APDE10A
SCHEMBL30322921 0.89 KDM4E (0.40) SMN1; SMN2HIF1AIMPDH2KDM4EATM
SCHEMBL19917593 0.89 ESR2 (0.43) ESR2TRPA1SMN1; SMN2HIF1APDE10A
SCHEMBL19917520 0.88 ESR2 (0.36) ESR2TRPA1PDE10AKDM4EPPARG

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