SCHEMBL19913167

SCHEMBL19913167

Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C(F)(F)F)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7ccc(C)cc7C(F)(F)F)ccc6c6ccc(-c7ccc(C(F)(F)F)cc7C(F)(F)F)cc65)c4-c4ccncc4)c3c2)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
SCN9A Q15858 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
AR P10275 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
FLT3 P36888 2/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
KIF11 P52732 1/20 0.30
ELANE P08246 1/20 0.30
RORC P51449 1/20 0.30
LRRK2 Q5S007 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL19913164 0.93 S1PR1 (0.35) CYP2C9SCN9AALOX5APFEN1AR
SCHEMBL19913168 0.92 LRRK2 (0.32) CYP2C9SCN9AALOX5APFEN1AR
SCHEMBL19919811 0.91 ALOX5AP (0.36) CYP2C9SCN9AALOX5APFEN1AR
SCHEMBL19913169 0.90 S1PR1 (0.34) CYP2C9SCN9AALOX5APFEN1AR
SCHEMBL19912505 0.90 AR (0.33) CYP2C9SCN9AARKIF11
SCHEMBL20112047 0.90 AR (0.35) CYP2C9SCN9AALOX5APFEN1AR
SCHEMBL19913296 0.89 CYP2C9 (0.32) CYP2C9SCN9AALOX5APFEN1AR
SCHEMBL26776950 0.88 AR (0.33) CYP2C9SCN9AARPTGDR2KIF11
SCHEMBL22170411 0.88 S1PR1 (0.35) CYP2C9SCN9AALOX5APFEN1AR
SCHEMBL19909499 0.88 CYP11B1 (0.38) CYP11B1CYP11B2FLT3

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
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed