SCHEMBL19903534

SCHEMBL19903534

Cc1cc(-c2c(-n3c4cc(C#N)ccc4c4ccc(C#N)cc43)cc(C#N)cc2-n2c3cc(C#N)ccc3c3ccc(C#N)cc32)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRG P48443 1/20 0.36
KIF11 P52732 1/20 0.35
MAT2A P31153 1/20 0.33
XDH P47989 2/20 0.32
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

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
SCHEMBL19912468 0.93 RXRA (0.36) RXRARXRGKIF11MAT2AXDH
SCHEMBL19912508 0.92 RXRA (0.40) RXRARXRGKIF11MAT2AXDH
SCHEMBL22564461 0.92 RXRA (0.41) RXRARXRGKIF11MAT2AXDH
SCHEMBL19912501 0.91 RXRA (0.39) RXRARXRGKIF11MAT2AXDH
SCHEMBL19912465 0.90 RXRA (0.34) RXRARXRGKIF11MAT2AXDH
SCHEMBL19903437 0.89 MAT2A (0.39) RXRARXRGMAT2AGRM5AR
SCHEMBL19912497 0.89 RXRA (0.35) RXRARXRGKIF11MAT2AXDH
SCHEMBL22564346 0.89 RXRA (0.41) RXRARXRGKIF11XDHGABRP
SCHEMBL19903511 0.89 RXRA (0.39) RXRARXRGKIF11XDHGABRP
SCHEMBL22564466 0.88 RXRA (0.39) RXRARXRGKIF11MAT2AXDH

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-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