SCHEMBL19917610

SCHEMBL19917610

Cc1ccc2c3ccccc3n(-c3cc(-c4ccccc4C#N)cc(-n4c5ccccc5c5ccc(C)cc54)c3C#N)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA2 P47869 3/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
PDE9A O76083 2/20 0.36
PDE1C Q14123 1/20 0.36
ESR2 Q92731 1/20 0.35
HIF1A Q16665 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 2/20 0.34
IMPDH2 P12268 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
HSD17B10 Q99714 3/20 0.33
TP53 P04637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 2/20 0.33

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
SCHEMBL19917606 0.96 GABRG2 (0.39) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL19917611 0.93 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL19917628 0.90 TRPA1 (0.36) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL19917528 0.90 SMN1; SMN2 (0.39) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL19917552 0.90 ESR2 (0.41) GABRG2GABRB3GABRA5GABRA3ESR2
SCHEMBL19917588 0.89 TRPA1 (0.40) GABRG2GABRB3GABRA5GABRA3ESR2
SCHEMBL19917604 0.89 GABRG2 (0.39) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL22898471 0.88 ESR2 (0.38) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL19917630 0.88 NR3C1 (0.37) GABRG2GABRB3GABRA5GABRA3ESR2
SCHEMBL19917602 0.87 PDE9A (0.35) GABRA1GABRG2GABRB3GABRA2GABRA5

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