SCHEMBL18332371

SCHEMBL18332371

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.39
▸ NOD1 Q9Y239 3/20 0.37
▸ NOD2 Q9HC29 2/20 0.37
▸ HPGD P15428 2/20 0.34
▸ PPARG P37231 2/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ LMNA P02545 4/20 0.32
▸ RAB9A P51151 4/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ GAA P10253 2/20 0.32
▸ GFER P55789 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 2/20 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
SCHEMBL18332192 0.97 ALOX5 (0.38) ALOX5NOD1NOD2HPGDPPARG
SCHEMBL18330716 0.91 ALOX5 (0.38) ALOX5NOD1NOD2HPGDPPARG
SCHEMBL18331734 0.91 ALOX5 (0.38) ALOX5NOD1NOD2HPGDPPARG
SCHEMBL18331945 0.91 ALOX5 (0.37) ALOX5NOD1NOD2HPGDPPARG
SCHEMBL18332189 0.87 ALOX5 (0.35) ALOX5NOD1NOD2HPGDPPARG
SCHEMBL18332013 0.86 ALOX5 (0.41) ALOX5NOD1NOD2HPGDPPARG
SCHEMBL18331988 0.86 ALOX5 (0.41) ALOX5NOD1NOD2HPGDPPARG
SCHEMBL18332126 0.86 ALOX5 (0.38) ALOX5LMNASMN1; SMN2MEN1KMT2A
SCHEMBL18331717 0.86 ALOX5 (0.38) ALOX5LMNASMN1; SMN2MEN1KMT2A
SCHEMBL10003553 0.85 ALOX5 (0.46) ALOX5NOD1NOD2HPGDPPARG

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
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