SCHEMBL19917519

SCHEMBL19917519

N#Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5C#N)cc(-n5c6ccccc6c6ccc(-c7ccc(C#N)cc7)cc65)c4C#N)c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36
TRPA1 O75762 1/20 0.34
PDE10A Q9Y233 1/20 0.34
PDK2 Q15119 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
PPARG P37231 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NR3C1 P04150 1/20 0.32
CHEK1 O14757 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL19917517 0.96 ESR2 (0.38) ESR2TRPA1PDE10APDK2SMN1; SMN2
SCHEMBL19917520 0.93 ESR2 (0.36) ESR2TRPA1PDE10APDK2PPARG
SCHEMBL19917515 0.92 ESR2 (0.35) ESR2TRPA1PDE10ASMN1; SMN2HIF1A
SCHEMBL19917588 0.92 TRPA1 (0.40) ESR2TRPA1PDE10ASMN1; SMN2HIF1A
SCHEMBL19917514 0.91 STS (0.37) ESR2TRPA1PDE10ASMN1; SMN2HIF1A
SCHEMBL19917516 0.90 ESR2 (0.38) ESR2TRPA1PDE10APDK2SMN1; SMN2
SCHEMBL19917617 0.89 SMN1; SMN2 (0.42) ESR2TRPA1PDE10ASMN1; SMN2HIF1A
SCHEMBL21414286 0.89 TRPA1 (0.37) ESR2TRPA1PDE10ASMN1; SMN2HIF1A
SCHEMBL19917561 0.88 ESR2 (0.38) ESR2TRPA1PDE10ASMN1; SMN2HIF1A
SCHEMBL21547012 0.88 GRIN1 (0.37) ESR2TRPA1PDK2SMN1; SMN2HIF1A

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