SCHEMBL19903693

SCHEMBL19903693

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2-n2c3ccccc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRG P48443 1/20 0.38
XDH P47989 1/20 0.33
ICMT O60725 3/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
AR P10275 1/20 0.31
KIF11 P52732 2/20 0.31
PTGER4 P35408 1/20 0.31
PTPN5 P54829 1/20 0.31
PGR P06401 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.30
CYP1A2 P05177 1/20 0.30
METAP2 P50579 1/20 0.30
PDPK1 O15530 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL22822680 0.99 RXRA (0.39) RXRARXRGXDHICMTCYP11B1
SCHEMBL20617112 0.99 RXRA (0.39) RXRARXRGXDHICMTCYP11B1
SCHEMBL19917811 0.95 RXRA (0.41) RXRARXRGXDHICMTCYP11B1
SCHEMBL22822163 0.94 KIF11 (0.39) RXRARXRGXDHKIF11PTGER4
SCHEMBL19903696 0.94 RXRA (0.38) RXRARXRGXDHCYP11B1CYP11B2
SCHEMBL22564184 0.94 RXRA (0.40) RXRARXRGXDHCYP11B1CYP11B2
SCHEMBL19903580 0.94 RXRA (0.38) RXRARXRGXDHICMTCYP11B1
SCHEMBL22822659 0.94 RXRA (0.42) RXRARXRGXDHICMTCYP11B1
SCHEMBL22822463 0.94 RXRA (0.42) RXRARXRGXDHCYP11B1CYP11B2
SCHEMBL19918033 0.93 RXRA (0.35) RXRARXRGXDHARPTGER4

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