SCHEMBL19917606

SCHEMBL19917606

Cc1ccc2c3ccc(C)cc3n(-c3cc(-c4ccccc4C#N)cc(-n4c5cc(C)ccc5c5ccc(C)cc54)c3C#N)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 5/20 0.39
GABRB3 P28472 5/20 0.39
GABRA1 P14867 4/20 0.39
GABRA2 P47869 4/20 0.39
GABRA5 P31644 3/20 0.39
GABRA3 P34903 3/20 0.39
ESR2 Q92731 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 4/20 0.35
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 4/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL19917610 0.96 GABRA1 (0.37) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL22898471 0.91 ESR2 (0.38) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL19917604 0.90 GABRG2 (0.39) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL19917532 0.89 SMN1; SMN2 (0.41) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL19917611 0.89 GABRA1 (0.37) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL19917593 0.88 ESR2 (0.43) GABRG2GABRB3GABRA5GABRA3ESR2
SCHEMBL22898462 0.88 GRIN1 (0.37) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL19917628 0.87 TRPA1 (0.36) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL19917533 0.86 AR (0.44) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL19917528 0.86 SMN1; SMN2 (0.39) 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