SCHEMBL12908488

SCHEMBL12908488

Cc1ccc(S(=O)(=O)n2cc(C(=O)/C(N)=C/CN(C)C)c3ccccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 9/20 0.58
▸ PTGS2 P35354 3/20 0.58
▸ HTR6 P50406 3/20 0.56
▸ KDM4E B2RXH2 1/20 0.54
▸ UBE2N P61088 1/20 0.54
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TNF P01375 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C1 Q04828 1/20 0.47

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
SCHEMBL10313738 0.86 ALOX5 (0.64) ALOX5PTGS2HTR6KDM4EUBE2N
SCHEMBL30689046 0.80 ALOX5 (0.65) ALOX5PTGS2HTR6KDM4EUBE2N
SCHEMBL22638205 0.80 ALOX5 (0.65) ALOX5PTGS2HTR6KDM4EUBE2N
SCHEMBL28709439 0.78 HDAC1 (0.69) ALOX5PTGS2HTR6KDM4EUBE2N
SCHEMBL13302218 0.77 ALOX5 (0.68) ALOX5PTGS2HTR6KDM4EUBE2N
SCHEMBL12908807 0.77 HTR6 (0.62) ALOX5PTGS2HTR6KDM4EUBE2N
SCHEMBL949348 0.76 LMNA (0.82) ALOX5PTGS2HTR6KDM4EUBE2N
SCHEMBL29414776 0.76 AKR1C3 (0.78) ALOX5PTGS2HTR6KDM4EUBE2N
SCHEMBL12748306 0.76 AKR1C3 (0.78) ALOX5PTGS2HTR6KDM4EUBE2N
SCHEMBL10002866 0.76 ALOX5 (0.58) ALOX5PTGS2HTR6KDM4EUBE2N

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-2011016528-A1 AMINOPYRAZOLE DERIVATIVE 中外製薬株式会社 (JP) 2011-02-10 — — WO disclosed
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