SCHEMBL25658482

SCHEMBL25658482

N#Cc1cc(C(F)(F)F)ccc1-c1cc(F)c(F)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.49
FEN1 P39748 1/20 0.49
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
AR P10275 6/20 0.39
TRPV4 Q9HBA0 2/20 0.39
KIF11 P52732 2/20 0.38
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
XDH P47989 1/20 0.36
MPL P40238 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
SCN9A Q15858 1/20 0.35
GPR3 P46089 1/20 0.34

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
SCHEMBL25658474 0.90 ALOX5AP (0.50) ALOX5APFEN1CYP11B1CYP11B2AR
SCHEMBL20111535 0.89 AR (0.46) ALOX5APFEN1CYP11B1CYP11B2AR
SCHEMBL25658520 0.81 ALOX5AP (0.45) ALOX5APFEN1CYP11B1CYP11B2AR
SCHEMBL283060 0.80 TRPV4 (0.45) ALOX5APFEN1CYP11B1CYP11B2AR
SCHEMBL20444104 0.79 TRPV4 (0.50) CYP11B1CYP11B2TRPV4
SCHEMBL25658455 0.79 ALOX5AP (0.46) ALOX5APFEN1CYP11B1CYP11B2AR
SCHEMBL25658426 0.79 ALOX5AP (0.55) ALOX5APFEN1CYP11B1CYP11B2AR
SCHEMBL20111586 0.78 AR (0.45) ALOX5APFEN1CYP11B1CYP11B2AR
SCHEMBL25658487 0.78 FEN1 (0.57) ALOX5APFEN1CYP11B1CYP11B2AR
SCHEMBL19903598 0.77 CYP11B1 (0.44) ALOX5APFEN1CYP11B1CYP11B2AR

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
EP-3585777-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2023-05-10 EP disclosed