SCHEMBL18331336

SCHEMBL18331336

Cc1ccc(S(=O)(=O)n2c(C(=O)/C(C#N)=C/N(C)C)cc3cc(C)c(NC(=O)OC(C)(C)C)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.36
▸ NOD1 Q9Y239 2/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RORC P51449 5/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL18332251 1.00 ALOX5 (0.36) ALOX5NOD1NOD2RAB9ASMN1; SMN2
SCHEMBL18331797 0.92 ALOX5 (0.35) ALOX5NOD1NOD2SMN1; SMN2LMNA
SCHEMBL18331404 0.87 ALOX5 (0.37) ALOX5NOD1NOD2SMN1; SMN2LMNA
SCHEMBL18331337 0.86 ALOX5 (0.38) ALOX5NOD1NOD2LMNAPOLB
SCHEMBL18332371 0.85 ALOX5 (0.39) ALOX5NOD1NOD2RAB9ASMN1; SMN2
SCHEMBL10003556 0.82 ALOX5 (0.46) ALOX5NOD1NOD2RAB9ALMNA
SCHEMBL10003553 0.82 ALOX5 (0.46) ALOX5NOD1NOD2RAB9ALMNA
SCHEMBL16188508 0.82 ALOX5 (0.46) ALOX5NOD1NOD2RAB9ALMNA
SCHEMBL18332192 0.82 ALOX5 (0.38) ALOX5NOD1NOD2RAB9ASMN1; SMN2
SCHEMBL18332013 0.82 ALOX5 (0.41) ALOX5NOD1NOD2RAB9ALMNA

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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