SCHEMBL21371005

SCHEMBL21371005

N#CC(C#N)=C1c2cc(-c3cc(F)cc(C(F)(F)F)c3)ccc2-c2nc3c(nc21)C(=C(C#N)C#N)c1cc(-c2cc(CF)cc(C(F)(F)F)c2)ccc1-3

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.38
RXRG P48443 3/20 0.38
RXRB P28702 2/20 0.38
PGR P06401 1/20 0.32
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL12198256 0.92 RXRA (0.39) RXRARXRGRXRBPGRCTSS
SCHEMBL10073836 0.92 RXRA (0.39) RXRARXRGRXRBPGRCTSS
SCHEMBL25166475 0.91 RXRA (0.38) RXRARXRGRXRBPGRCTSS
SCHEMBL2755915 0.86 RXRA (0.35) RXRARXRGRXRBPGRCTSS
SCHEMBL12149290 0.86 RXRA (0.35) RXRARXRGRXRBPGRCTSS
SCHEMBL10072958 0.85 CTSS (0.37) RXRARXRGRXRBCTSSCTSK
SCHEMBL15779890 0.85 CTSS (0.37) RXRARXRGRXRBCTSSCTSK
SCHEMBL2756160 0.79 KIF11 (0.41) CTSSCTSK
SCHEMBL2756293 0.79 RXRA (0.36) RXRARXRGRXRBCTSSCTSK
SCHEMBL24872860 0.79 USP7 (0.38) RXRARXRGRXRBCTSSCTSK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2833429-B1 ORGANIC ELECTROLUMINESCENCE ELEMENT JOLED INC (JP) 2019-09-18 EP disclosed