SCHEMBL22451471

SCHEMBL22451471

Nc1cc(CO)c(-c2ccc(OC(F)(F)F)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
FFAR4 Q5NUL3 2/20 0.41
ABL1 P00519 1/20 0.41
KCNH2 Q12809 3/20 0.40
MPO P05164 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
SCN10A Q9Y5Y9 6/20 0.40
MAOB P27338 1/20 0.40
AOC3 Q16853 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
SCN1A P35498 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39

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
SCHEMBL22444290 0.88 ALOX5AP (0.45) ALOX5APFEN1ABL1KCNH2MPO
Hydrochloric Acid SCHEMBL22444193 0.86 ALOX5AP (0.44) ALOX5APFEN1ABL1KCNH2MPO
SCHEMBL21426824 0.81 MAOA (0.44) ALOX5APFEN1ABL1KCNH2GABBR2
SCHEMBL2555064 0.77 ALOX5AP (0.45) ALOX5APFEN1ABL1KCNH2SCN10A
SCHEMBL21426828 0.76 JAK2 (0.48) ALOX5APFEN1ABL1KCNH2JAK2
SCHEMBL21426829 0.73 FFAR4 (0.39) FFAR4ABL1SCN10ASCN5AFFAR1
SCHEMBL18654126 0.72 LTA4H (0.56) ALOX5APFEN1KCNH2SCN10ASCN1A
SCHEMBL1550503 0.71 SCN5A (0.44) ALOX5APFEN1FFAR4ABL1SCN10A
SCHEMBL29655522 0.71 DHFR (0.53) ALOX5APFEN1KCNH2SCN10ASCN1A
SCHEMBL1388613 0.71 DHFR (0.53) ALOX5APFEN1KCNH2SCN10ASCN1A

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-2020188833-A1 MANUFACTURING METHOD FOR BIARYL AMIDE DERIVATIVE 持田製薬株式会社 2020-09-24 WO disclosed