SCHEMBL19903559

SCHEMBL19903559

Cc1cc(-c2cc(-n3c4ccccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)c(C#N)c(-n3c4ccccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)c2)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
AR P10275 2/20 0.34
PDE9A O76083 1/20 0.33
PDE1C Q14123 1/20 0.33
RXRA P19793 3/20 0.32
RXRB P28702 2/20 0.32
TACR1 P25103 4/20 0.32
POLB P06746 1/20 0.31
RXRG P48443 2/20 0.31
KDM5B Q9UGL1 1/20 0.31
BCAT2 O15382 1/20 0.31
BCAT1 P54687 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ICMT O60725 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
SCHEMBL19912556 0.99 KIF11 (0.37) KIF11ARPDE9APDE1CRXRA
SCHEMBL19917817 0.98 KIF11 (0.36) KIF11ARPDE9APDE1CRXRA
SCHEMBL19912545 0.98 KIF11 (0.36) KIF11ARPDE9APDE1CRXRA
SCHEMBL19912540 0.96 AR (0.37) KIF11ARPDE9APDE1CRXRA
SCHEMBL19912524 0.96 KIF11 (0.35) KIF11ARPDE9APDE1CRXRA
SCHEMBL19912533 0.95 AR (0.41) KIF11ARPDE9APDE1CPOLB
SCHEMBL19903651 0.94 AR (0.42) KIF11ARPDE9APDE1CRXRA
SCHEMBL19912373 0.93 KIF11 (0.38) KIF11ARPDE9APDE1CRXRA
SCHEMBL19918048 0.93 KIF11 (0.38) KIF11RXRARXRBTACR1RXRG
SCHEMBL19912550 0.93 AR (0.35) KIF11ARRXRARXRBPOLB

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