SCHEMBL22564564

SCHEMBL22564564

N#Cc1cc(-c2cc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)cc2C#N)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
RXRA P19793 1/20 0.35
RXRG P48443 1/20 0.35
MAT2A P31153 3/20 0.34
XDH P47989 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
CYP1A2 P05177 1/20 0.32
METAP2 P50579 1/20 0.32
CTSS P25774 1/20 0.32
PDPK1 O15530 1/20 0.31
CNR2 P34972 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL22822146 0.97 KIF11 (0.39) KIF11RXRARXRGMAT2AXDH
SCHEMBL19903504 0.95 KIF11 (0.44) KIF11MAT2AXDHKDM4EALOX5AP
SCHEMBL22822145 0.94 RXRA (0.39) KIF11RXRARXRGMAT2AXDH
SCHEMBL20617042 0.94 KIF11 (0.39) KIF11RXRARXRGMAT2AXDH
SCHEMBL22564426 0.94 RXRA (0.35) KIF11RXRARXRGMAT2AXDH
SCHEMBL22564390 0.94 KIF11 (0.41) KIF11RXRARXRGMAT2AXDH
SCHEMBL22564562 0.94 KIF11 (0.36) KIF11RXRARXRGMAT2AXDH
SCHEMBL22822682 0.92 RXRA (0.39) KIF11RXRARXRGXDHTAS2R14
SCHEMBL20617117 0.92 RXRA (0.39) KIF11RXRARXRGXDHTAS2R14
SCHEMBL22822672 0.92 RXRA (0.34) KIF11RXRARXRGXDHKDM4E

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-3642302-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed