SCHEMBL20112005

SCHEMBL20112005

Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3cc(-c4ccc(C#N)cc4C#N)ccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)c(-n2c3cc(-c4ccc(C#N)cc4C#N)ccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
XDH P47989 2/20 0.37
KIF11 P52732 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AR P10275 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
KCNH2 Q12809 1/20 0.34
STS P08842 1/20 0.33
CNR1 P21554 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
ELANE P08246 1/20 0.32
KDM1A O60341 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
SCN9A Q15858 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
SCHEMBL25660950 0.93 ALOX5AP (0.43) ALOX5APFEN1XDHKIF11TSHR
SCHEMBL20925154 0.90 ALOX5AP (0.39) ALOX5APFEN1XDHKIF11TSHR
SCHEMBL20111822 0.88 KIF11 (0.40) XDHKIF11TSHRSMN1; SMN2AR
SCHEMBL25659740 0.87 ALOX5AP (0.41) ALOX5APFEN1XDHKIF11PTGDR2
SCHEMBL21258718 0.85 ALOX5AP (0.36) ALOX5APFEN1XDHKIF11AR
SCHEMBL20617113 0.85 RXRA (0.38) ALOX5APFEN1XDHKIF11AR
SCHEMBL25660932 0.85 KIF11 (0.46) ALOX5APFEN1XDHKIF11TSHR
SCHEMBL25659568 0.85 AR (0.36) ALOX5APFEN1KIF11ARSTS
SCHEMBL25660951 0.84 ALOX5AP (0.43) ALOX5APFEN1XDHKIF11TSHR
SCHEMBL20111604 0.84 ALOX5AP (0.38) ALOX5APFEN1XDHKIF11AR

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
WO-2018077492-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-03 WO disclosed