SCHEMBL19917543

SCHEMBL19917543

N#Cc1ccccc1-c1cc(F)c(C#N)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.50
ALOX5AP P20292 1/20 0.49
FEN1 P39748 1/20 0.49
CYP11B1 P15538 4/20 0.44
CYP11B2 P19099 4/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
TRPV4 Q9HBA0 1/20 0.44
PTPN5 P54829 1/20 0.43
TRPA1 O75762 1/20 0.42
NR3C1 P04150 1/20 0.41
ACMSD Q8TDX5 1/20 0.40
EGLN2 Q96KS0 1/20 0.40
AR P10275 1/20 0.39
ESR1 P03372 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
GABRA1 P14867 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
SCHEMBL28299311 0.87 ESR2 (0.52) ESR2ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL19579103 0.85 ESR2 (0.50) ESR2ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL13614777 0.85 CYP11B1 (0.50) ALOX5APFEN1CYP11B1CYP11B2GABRG2
SCHEMBL30415829 0.85 CYP11B1 (0.50) ALOX5APFEN1CYP11B1CYP11B2GABRG2
SCHEMBL21960122 0.84 ALOX5AP (0.55) ESR2ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL1373319 0.80 ALOX5AP (0.45) ESR2ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL2775651 0.80 ESR2 (0.53) ESR2ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL1372803 0.77 ALOX5AP (0.52) ESR2ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL20616784 0.77 AR (0.58) ALOX5APFEN1TRPV4TRPA1AR
SCHEMBL24085014 0.76 ESR2 (0.52) ESR2ALOX5APFEN1CYP11B1CYP11B2

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