SCHEMBL18332126

SCHEMBL18332126

Cc1ccc(S(=O)(=O)n2c(C(=O)C(C#N)=CN(C)C)cc3cc(C)c(NS(=O)(=O)N4CCOCC4)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.38
▸ GAA P10253 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL18331717 1.00 ALOX5 (0.38) ALOX5GAASMN1; SMN2LMNATP53
SCHEMBL18332371 0.86 ALOX5 (0.39) ALOX5GAASMN1; SMN2LMNAKDM4E
SCHEMBL18332260 0.86 ALOX5 (0.40) ALOX5SMN1; SMN2LMNATP53MAPT
SCHEMBL18332192 0.84 ALOX5 (0.38) ALOX5GAASMN1; SMN2LMNAKDM4E
SCHEMBL21572151 0.83 HPGD (0.30) —
SCHEMBL18332193 0.82 GAA (0.39) ALOX5GAASMN1; SMN2PABPC1APOBEC3A
SCHEMBL18332185 0.81 NOD2 (0.44) ALOX5GAASMN1; SMN2PABPC1APOBEC3A
SCHEMBL18332131 0.81 ALOX5 (0.36) ALOX5SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL18332189 0.81 ALOX5 (0.35) ALOX5
SCHEMBL18332013 0.80 ALOX5 (0.41) ALOX5LMNATP53MAPTKDM4E

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