SCHEMBL19903700

SCHEMBL19903700

N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(C#N)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
RXRA P19793 1/20 0.34
RXRG P48443 1/20 0.34
TMPRSS4 Q9NRS4 1/20 0.34
XDH P47989 1/20 0.33
MAT2A P31153 1/20 0.32
KDM4E B2RXH2 1/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRM5 P41594 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP1A2 P05177 1/20 0.31
METAP2 P50579 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
SCHEMBL22564425 0.96 RXRA (0.39) KIF11RXRARXRGTMPRSS4XDH
SCHEMBL19903697 0.94 KIF11 (0.33) KIF11RXRARXRGTMPRSS4XDH
SCHEMBL19918049 0.92 KIF11 (0.33) KIF11RXRARXRGXDHMAT2A
SCHEMBL19903573 0.92 ALOX5AP (0.36) KIF11RXRARXRGTMPRSS4XDH
SCHEMBL19903476 0.92 KIF11 (0.43) KIF11RXRARXRGDGAT1SOAT1
SCHEMBL19903628 0.92 KIF11 (0.36) KIF11RXRARXRGTMPRSS4XDH
SCHEMBL22822133 0.91 RXRA (0.35) KIF11RXRARXRGXDHMAT2A
SCHEMBL19903699 0.90 KIF11 (0.37) KIF11RXRARXRGTMPRSS4XDH
SCHEMBL19903507 0.90 TSHR (0.36) KIF11RXRARXRGXDHKDM4E
SCHEMBL22822659 0.90 RXRA (0.42) KIF11RXRARXRGXDHMAT2A

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