SCHEMBL19903631

SCHEMBL19903631

Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7c(C)cc(C)cc7C)ccc6c6ccc(-c7c(C)cc(C)cc7C)cc65)c4-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3c2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.36
RXRG P48443 1/20 0.36
KIF11 P52732 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL22564379 0.98 RXRA (0.38) RXRARXRGKIF11GABRPGABRD
SCHEMBL19912497 0.97 RXRA (0.35) RXRARXRGKIF11GABRPGABRD
SCHEMBL19903527 0.95 KIF11 (0.34) RXRARXRGKIF11GABRPGABRD
SCHEMBL22564368 0.93 RXRA (0.35) RXRARXRGKIF11GABRPGABRD
SCHEMBL19903543 0.92 RXRA (0.37) RXRARXRGKIF11GABRPGABRD
SCHEMBL19912500 0.92 KIF11 (0.33) RXRARXRGKIF11MAT2A
SCHEMBL20617430 0.90 RXRA (0.39) RXRARXRGKIF11GABRPGABRD
SCHEMBL19903511 0.90 RXRA (0.39) RXRARXRGKIF11GABRPGABRD
SCHEMBL19903616 0.90 AR (0.41) RXRARXRGKIF11GABRPGABRD
SCHEMBL19903634 0.90 TACR1 (0.34) RXRARXRGKIF11GABRPGABRD

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 3 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-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-20 EP disclosed
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP disclosed