SCHEMBL19917532

SCHEMBL19917532

Cc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4cc(-c5ccccc5C#N)cc(-n5c6cc(-c7cccc(C)c7)ccc6c6ccc(-c7cccc(C)c7)cc65)c4C#N)c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
AR P10275 1/20 0.41
GABRA1 P14867 4/20 0.40
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRA2 P47869 4/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL19917528 0.97 SMN1; SMN2 (0.39) SMN1; SMN2HIF1AARGABRA1GABRG2
SCHEMBL22898462 0.92 GRIN1 (0.37) SMN1; SMN2HIF1AGABRA1GABRG2GABRB3
SCHEMBL19917530 0.91 AR (0.41) SMN1; SMN2HIF1AARGABRA1GABRG2
SCHEMBL22898471 0.91 ESR2 (0.38) SMN1; SMN2HIF1AARGABRA1GABRG2
SCHEMBL19917536 0.90 ALDH1A1 (0.39) SMN1; SMN2HIF1AARGABRA1GABRG2
SCHEMBL19917617 0.89 SMN1; SMN2 (0.42) SMN1; SMN2HIF1AGABRG2GABRB3GABRA5
SCHEMBL19917606 0.89 GABRG2 (0.39) SMN1; SMN2HIF1AGABRA1GABRG2GABRB3
SCHEMBL19917593 0.88 ESR2 (0.43) SMN1; SMN2HIF1AGABRG2GABRB3GABRA5
SCHEMBL19917589 0.87 GRIN1 (0.39) SMN1; SMN2HIF1AGABRA1GABRG2GABRB3
SCHEMBL19917610 0.86 GABRA1 (0.37) 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