SCHEMBL19917528

SCHEMBL19917528

Cc1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5C#N)cc(-n5c6ccccc6c6ccc(-c7cccc(C)c7)cc65)c4C#N)c3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
AR P10275 1/20 0.39
GABRA1 P14867 4/20 0.39
GABRG2 P18507 4/20 0.39
GABRB3 P28472 4/20 0.39
GABRA2 P47869 4/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL19917532 0.97 SMN1; SMN2 (0.41) SMN1; SMN2HIF1AARGABRA1GABRG2
SCHEMBL19917536 0.94 ALDH1A1 (0.39) SMN1; SMN2HIF1AARGABRA1GABRG2
SCHEMBL19917530 0.90 AR (0.41) SMN1; SMN2HIF1AARGABRA1GABRG2
SCHEMBL19917610 0.90 GABRA1 (0.37) SMN1; SMN2HIF1AGABRA1GABRG2GABRB3
SCHEMBL22898462 0.89 GRIN1 (0.37) SMN1; SMN2HIF1AGABRA1GABRG2GABRB3
SCHEMBL19917588 0.89 TRPA1 (0.40) SMN1; SMN2HIF1AGABRG2GABRB3GABRA5
SCHEMBL22898471 0.88 ESR2 (0.38) SMN1; SMN2HIF1AARGABRA1GABRG2
SCHEMBL19917628 0.88 TRPA1 (0.36) SMN1; SMN2HIF1AARGABRA1GABRG2
SCHEMBL25660362 0.86 AR (0.43) SMN1; SMN2HIF1AARALDH1A1ADORA2A
SCHEMBL19917606 0.86 GABRG2 (0.39) SMN1; SMN2HIF1AGABRA1GABRG2GABRB3

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