SCHEMBL22815965

SCHEMBL22815965

OC(O)c1[nH]nnc1Sc1ccc(-c2ccc(OC(F)(F)F)cn2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 1/20 0.34
▸ CYP1A2 P05177 3/20 0.33
▸ SCN5A Q14524 2/20 0.33
▸ CHEK2 O96017 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ FAAH O00519 3/20 0.31
▸ SCN10A Q9Y5Y9 4/20 0.31
▸ TRPA1 O75762 2/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ SCN1A P35498 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ SCN2A Q99250 1/20 0.31
▸ SCN8A Q9UQD0 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ SMO Q99835 1/20 0.31

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
SCHEMBL23484504 0.82 RHEB (0.42) RHEBCYP1A2CHEK2DGAT1
Trifluoroacetic Acid SCHEMBL22608146 0.79 RHEB (0.40) RHEBCYP1A2CHEK2DGAT1
SCHEMBL22608147 0.79 RHEB (0.36) RHEBCYP1A2CHEK2SCN10ACHRM5
SCHEMBL22815966 0.78 L3MBTL1 (0.39) RHEBDGAT1
SCHEMBL22807370 0.72 RHEB (0.40) RHEBCYP1A2SCN5ACHEK2SCN1A
SCHEMBL22608306 0.69 RHEB (0.47) RHEBSCN5ACHEK2
SCHEMBL22807390 0.68 RHEB (0.40) RHEBSCN5ACHEK2SCN10A
SCHEMBL22815960 0.66 ALOX5AP (0.47) CYP1A2SCN5AALOX5APFEN1SCN10A
SCHEMBL22815962 0.66 TP53 (0.47) CYP1A2SCN5AALOX5APFEN1CYP3A4
SCHEMBL31374888 0.66 CHRNA7 (0.47) CYP1A2SCN5AALOX5APFEN1SCN10A

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-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 — — WO disclosed
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