SCHEMBL18332189

SCHEMBL18332189

Cc1ccc(S(=O)(=O)n2c(C(=O)/C(C#N)=C/N(C)C)cc3cc(C)c(NS(=O)(=O)CCCF)cc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.35
▸ NOD2 Q9HC29 2/20 0.35
▸ NOD1 Q9Y239 2/20 0.35
▸ PPARG P37231 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ HPGD P15428 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
SCHEMBL18332190 0.93 ALOX5 (0.35) ALOX5NOD2NOD1PPARGPPARD
SCHEMBL18332371 0.87 ALOX5 (0.39) ALOX5NOD2NOD1PPARGPPARD
SCHEMBL18332192 0.84 ALOX5 (0.38) ALOX5NOD2NOD1PPARGPPARD
SCHEMBL21572150 0.82 ALDH1A1 (0.31) HPGD
SCHEMBL18332013 0.81 ALOX5 (0.41) ALOX5NOD2NOD1PPARGPPARD
SCHEMBL18331988 0.81 ALOX5 (0.41) ALOX5NOD2NOD1PPARGPPARD
SCHEMBL18332126 0.81 ALOX5 (0.38) ALOX5
SCHEMBL18331717 0.81 ALOX5 (0.38) ALOX5
SCHEMBL18330716 0.80 ALOX5 (0.38) ALOX5NOD2NOD1PPARGPPARD
SCHEMBL18331734 0.80 ALOX5 (0.38) ALOX5NOD2NOD1PPARGPPARD

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-2016204261-A1 AMINOPYRAZOLE DERIVATIVES 中外製薬株式会社 2016-12-22 — — WO disclosed
Send feedback