SCHEMBL9018080

SCHEMBL9018080

COc1ccccc1CCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)OC3CCCCC3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CYSLTR2 Q9NS75 4/20 0.42
CYSLTR1 Q9Y271 4/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
PPARG P37231 2/20 0.40
EPHX2 P34913 1/20 0.40
KCNH2 Q12809 2/20 0.40

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
SCHEMBL9018440 0.90 POLB (0.49) TGM2POLBTDP1ROCK2ROCK1
SCHEMBL9018210 0.89 SMN1; SMN2 (0.45) TGM2MEN1KMT2AALDH1A1LMNA
SCHEMBL9140719 0.88 TGM2 (0.48) TGM2POLBTDP1ROCK2ROCK1
SCHEMBL9018062 0.88 SMN1; SMN2 (0.45) TGM2MEN1KMT2AALDH1A1LMNA
SCHEMBL9018159 0.88 KMT2A (0.49) TGM2ROCK2MEN1KMT2AALDH1A1
SCHEMBL9018483 0.87 GABRA5 (0.43) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL9018157 0.86 POLB (0.47) TGM2POLBTDP1ROCK2ROCK1
SCHEMBL9018502 0.86 GABRA5 (0.43) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL9018234 0.86 POLB (0.46) TGM2POLBTDP1ROCK2ROCK1
SCHEMBL9018058 0.86 ACACB (0.43) TGM2ROCK2NAMPTALDH1A1EPHX2

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