SCHEMBL19913296

SCHEMBL19913296

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

nearest known ligand 0.32

Predicted protein targets (top 8)

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
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
AR P10275 2/20 0.31
GRM5 P41594 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
SCHEMBL19909447 0.94 ALOX5AP (0.35) CYP2C9SCN9AALOX5APFEN1AR
SCHEMBL19912505 0.91 AR (0.33) CYP2C9SCN9AAR
SCHEMBL19913167 0.89 CYP2C9 (0.32) CYP2C9SCN9AALOX5APFEN1AR
SCHEMBL20112047 0.89 AR (0.35) CYP2C9SCN9AALOX5APFEN1HCRTR1
SCHEMBL26776950 0.87 AR (0.33) CYP2C9SCN9AHCRTR1HCRTR2AR
SCHEMBL19913287 0.86 GRM2 (0.34)
SCHEMBL22563579 0.86 ALOX5AP (0.35) CYP2C9SCN9AALOX5APFEN1HCRTR1
SCHEMBL19912510 0.85 AR (0.33) CYP2C9SCN9AAR
SCHEMBL20925133 0.84 AR (0.36) CYP2C9SCN9AAR
SCHEMBL21414155 0.84 ALOX5AP (0.36) CYP2C9SCN9AALOX5APFEN1AR

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