SCHEMBL9018352

SCHEMBL9018352

COc1cccc(CCNC(=O)c2ccc(S(=O)(=O)NC(=O)c3ccc(OC(=O)OC4CCCCC4)nc3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
RAB9A P51151 2/20 0.45
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
BLM P54132 2/20 0.41

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
SCHEMBL9018159 0.92 KMT2A (0.49) RAB9ACTSLCTSSROCK2MAPT
SCHEMBL9018210 0.90 SMN1; SMN2 (0.45) RAB9AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9018062 0.89 SMN1; SMN2 (0.45) RAB9AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9138678 0.89 CA1 (0.54) CA1CA2CA7CA9CA14
SCHEMBL9018249 0.86 CA1 (0.57) CA1CA2CA7CA9CA14
SCHEMBL9018393 0.86 CXCR1 (0.47) CA1CA2CA9RAB9AROCK2
SCHEMBL9018080 0.86 TGM2 (0.46) ROCK2ROCK1MAPTALDH1A1LMNA
SCHEMBL9018146 0.86 CA1 (0.56) CA1CA2CA7CA9CA14
SCHEMBL9018058 0.85 ACACB (0.43) RAB9AROCK2ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL9018073 0.85 EGFR (0.46) CA1CA2CA9RAB9AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 EP disclosed
EP-0590520-A1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed