SCHEMBL19903586

SCHEMBL19903586

N#Cc1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.35
KIF11 P52732 1/20 0.32
SCN9A Q15858 7/20 0.32
NR3C1 P04150 1/20 0.31
RORC P51449 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL19903581 1.00 AR (0.35) ARKIF11SCN9ANR3C1RORC
SCHEMBL22564361 0.95 RXRA (0.34) ARKIF11SCN9ANR3C1
SCHEMBL22564362 0.95 RXRA (0.34) ARKIF11SCN9ANR3C1
SCHEMBL19917925 0.94 AR (0.35) ARKIF11SCN9ANR3C1RORC
SCHEMBL19903606 0.94 AR (0.35) ARKIF11SCN9ATRPA1
SCHEMBL19903587 0.94 AR (0.35) ARKIF11SCN9ANR3C1RORC
SCHEMBL19917991 0.94 AR (0.35) ARKIF11SCN9ATRPA1
SCHEMBL19903505 0.91 KIF11 (0.39) ARKIF11RORCTRPA1
SCHEMBL19903697 0.89 KIF11 (0.33) ARKIF11RORCTRPA1
SCHEMBL22822672 0.89 RXRA (0.34) ARKIF11SCN9A

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
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP disclosed