SCHEMBL19917629

SCHEMBL19917629

N#Cc1ccccc1-c1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(C#N)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.39
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
PDE10A Q9Y233 1/20 0.34
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
HIF1A Q16665 1/20 0.33
PPARG P37231 1/20 0.33
GABRA1 P14867 1/20 0.33
IMPDH2 P12268 1/20 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
SCHEMBL19917630 0.93 NR3C1 (0.37) NR3C1ESR2KDM4EATML3MBTL1
SCHEMBL19917552 0.92 ESR2 (0.41) NR3C1ESR2KDM4EATML3MBTL1
SCHEMBL19917585 0.91 TRPA1 (0.40) NR3C1ESR2KDM4ETRPA1ALDH1A1
SCHEMBL19917615 0.90 NR3C1 (0.36) NR3C1ESR2KDM4EATML3MBTL1
SCHEMBL19917613 0.89 ESR2 (0.35) NR3C1ESR2KDM4ETRPA1SMN1; SMN2
SCHEMBL19917611 0.88 GABRA1 (0.37) NR3C1ESR2KDM4EL3MBTL1TRPA1
SCHEMBL19917588 0.86 TRPA1 (0.40) NR3C1ESR2KDM4ETRPA1ALDH1A1
SCHEMBL19917520 0.86 ESR2 (0.36) NR3C1ESR2KDM4ETRPA1ALDH1A1
SCHEMBL19917608 0.86 GABRG2 (0.39) NR3C1ESR2TRPA1ALDH1A1MAPK1
SCHEMBL18347467 0.86 KDM4E (0.38) NR3C1ESR2KDM4EATML3MBTL1

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