SCHEMBL9017994

SCHEMBL9017994

CCOCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)OCC)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.41
P4HTM Q9NXG6 3/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
CA2 P00918 2/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
PTGS2 P35354 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL9018266 0.94 HPGD (0.47) EGFRP4HTMALDH1A1KDM4EMAPT
SCHEMBL9018050 0.93 P4HTM (0.44) EGFRP4HTMALDH1A1KDM4EKMT2A
SCHEMBL9018041 0.93 P4HTM (0.44) EGFRP4HTMALDH1A1KDM4EMAPT
SCHEMBL7867703 0.90 EGFR (0.45) EGFRP4HTMALDH1A1KDM4EMAPT
SCHEMBL9018337 0.89 ALDH1A1 (0.45) EGFRP4HTMALDH1A1KDM4EMAPT
SCHEMBL9018017 0.89 EGFR (0.45) EGFRP4HTMKMT2AEPHX2SMN1; SMN2
SCHEMBL9018048 0.89 NPC1 (0.52) P4HTMMAPTKMT2AHPGDNPC1
SCHEMBL9018420 0.89 P4HTM (0.39) EGFRP4HTMALDH1A1KDM4EMAPT
SCHEMBL9018236 0.88 HPGD (0.50) EGFRP4HTMALDH1A1KDM4EMAPT
SCHEMBL9018169 0.88 CA2 (0.50) EGFRP4HTMALDH1A1KDM4EMAPT

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