SCHEMBL9018237

SCHEMBL9018237

COc1cccc(CCNC(=O)c2ccc(S(=O)(=O)NC(=O)c3ccc(OC(=O)OCc4ccccc4)nc3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 3/20 0.55
CA14 Q9ULX7 3/20 0.55
RAB9A P51151 3/20 0.47
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 1/20 0.46
NPC1 O15118 2/20 0.45
BCL2L1 Q07817 4/20 0.44
MCL1 Q07820 4/20 0.44
APP P05067 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9018511 0.93 KMT2A (0.51) RAB9ANPC1BCL2L1MCL1ALDH1A1
SCHEMBL9018249 0.92 CA1 (0.57) CA1CA2CA7CA9CA14
SCHEMBL9018104 0.89 BCL2L1 (0.48) RAB9ANPC1BCL2L1MCL1MAPT
SCHEMBL9018146 0.88 CA1 (0.56) CA1CA2CA7CA9CA14
SCHEMBL9138369 0.87 CA1 (0.57) CA1CA2CA7CA9CA14
SCHEMBL9018112 0.87 LMNA (0.51) CA1CA2CA9RAB9ANPC1
SCHEMBL9018402 0.87 POLB (0.45) RAB9ANPC1BCL2L1MCL1ALDH1A1
SCHEMBL9018065 0.86 BCL2L1 (0.54) RAB9ANPC1BCL2L1MCL1ALDH1A1
SCHEMBL9018240 0.86 BCL2L1 (0.52) RAB9ANPC1BCL2L1MCL1MAPT
SCHEMBL9018305 0.86 BCL2L1 (0.46) CA1CA2CA9RAB9ANPC1

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