SCHEMBL18332193

SCHEMBL18332193

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALOX5 P09917 1/20 0.37

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
SCHEMBL18332185 0.85 NOD2 (0.44) GAASMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL18332408 0.85 NOD1 (0.42) GAAMAPTL3MBTL1ALOX5
SCHEMBL18331717 0.82 ALOX5 (0.38) GAAMAPTSMN1; SMN2CYP3A4CYP2C9
SCHEMBL18332126 0.82 ALOX5 (0.38) GAAMAPTSMN1; SMN2CYP3A4CYP2C9
SCHEMBL16792487 0.78 HTR6 (0.43) MAPTSMN1; SMN2CYP2C9MEN1KMT2A
SCHEMBL18332156 0.78 NOD1 (0.44) GAASMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL18331706 0.77 NOD1 (0.41) MAPTL3MBTL1ALOX5
SCHEMBL10004054 0.76 NOD1 (0.51) GAASMN1; SMN2L3MBTL1ALOX5
SCHEMBL20584087 0.76 PTGDR2 (0.38) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL10003324 0.76 NOD2 (0.43) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1

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