SCHEMBL21715780

SCHEMBL21715780

Nc1ccc(-c2ccc3c(-c4ccc(N)cc4OC(F)(F)F)cccc3c2)c(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
TRPA1 O75762 1/20 0.41
SCN9A Q15858 13/20 0.39
SCN5A Q14524 2/20 0.39
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PLAU P00749 1/20 0.36
MPL P40238 1/20 0.35

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
SCHEMBL23429868 0.90 ALOX5AP (0.43) ALOX5APFEN1TRPA1SCN9ASCN5A
SCHEMBL21715812 0.84 TSHR (0.40) ALOX5APFEN1TRPA1SCN9ACYP17A1
SCHEMBL21715809 0.83 TRPA1 (0.43) ALOX5APFEN1TRPA1SCN9ASCN5A
SCHEMBL21715783 0.82 TRPA1 (0.42) ALOX5APFEN1TRPA1SCN9ASCN5A
SCHEMBL31533686 0.79 PDE3B (0.43) ALOX5APFEN1TRPA1SCN9ASCN5A
SCHEMBL2141965 0.78 GLA (0.42) ALOX5APFEN1TRPA1SCN9ASCN5A
SCHEMBL714264 0.78 TSHR (0.48) ALOX5APFEN1CYP17A1CYP3A4MPL
SCHEMBL21715779 0.77 GLA (0.57) ALOX5APFEN1TRPA1SCN9ASCN5A
Hydrochloric Acid SCHEMBL28045031 0.77 GLA (0.41) ALOX5APFEN1TRPA1SCN9ASCN5A
SCHEMBL5038281 0.75 NCOA1 (0.45) ALOX5APFEN1SCN9ASCN5ACYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163683-A1 POLYMERS FOR USE IN ELECTRONIC DEVICES U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2021-06-03 US disclosed
WO-2020033471-A1 POLYMERS FOR USE IN ELECTRONIC DEVICES DUPONT ELECTRONICS, INC. (US) 2020-02-13 WO disclosed