SCHEMBL19917604

SCHEMBL19917604

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccccc2C#N)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 6/20 0.39
GABRB3 P28472 6/20 0.39
GABRA1 P14867 5/20 0.39
GABRA2 P47869 4/20 0.39
GABRA5 P31644 4/20 0.39
GABRA3 P34903 4/20 0.39
ESR2 Q92731 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
NR3C1 P04150 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP2C9 P11712 1/20 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
SCHEMBL19917611 0.96 GABRA1 (0.37) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL22898470 0.91 ESR2 (0.38) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL19917606 0.90 GABRG2 (0.39) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL19579282 0.90 GABRG2 (0.39) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL19917530 0.89 AR (0.41) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL19917610 0.89 GABRA1 (0.37) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL22898463 0.88 CYP1A2 (0.37) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL22898461 0.87 TRPA1 (0.36) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL19917598 0.87 NR3C1 (0.36) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL19917534 0.86 AR (0.44) GABRG2GABRB3GABRA1GABRA2GABRA5

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