SCHEMBL20111877

SCHEMBL20111877

N#Cc1cc(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.40
PGR P06401 2/20 0.38
PTPN5 P54829 1/20 0.38
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
NR3C1 P04150 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL20111871 0.97 AR (0.38) ARPGRPTPN5ALOX5APFEN1
SCHEMBL25659951 0.92 ALOX5AP (0.41) ARPGRPTPN5ALOX5APFEN1
SCHEMBL25659075 0.92 AR (0.41) ARPGRPTPN5ALOX5APFEN1
SCHEMBL20111874 0.92 AR (0.38) ARPGRPTPN5ALOX5APFEN1
SCHEMBL20925081 0.91 ALOX5AP (0.38) ARPGRALOX5APFEN1KIF11
SCHEMBL21258763 0.91 ALOX5AP (0.38) ARPGRALOX5APFEN1EDNRB
SCHEMBL20111888 0.91 ALOX5AP (0.36) ARPGRALOX5APFEN1KIF11
SCHEMBL20112043 0.90 AR (0.36) ARPGRALOX5APFEN1MAPT
SCHEMBL25659949 0.89 ALOX5AP (0.39) ARPGRPTPN5ALOX5APFEN1
SCHEMBL20848736 0.89 AR (0.41) ARPGRPTPN5ALOX5APFEN1

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-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
WO-2018077492-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-03 WO disclosed