SCHEMBL9018337

SCHEMBL9018337

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP2C9 P11712 2/20 0.45
LMNA P02545 1/20 0.45
ALB P02768 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA2 P00918 1/20 0.44
TP53 P04637 1/20 0.42
EGFR P00533 3/20 0.42
P4HTM Q9NXG6 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9018169 0.96 CA2 (0.50) ALDH1A1CYP2C9LMNAALBTSHR
SCHEMBL9018436 0.92 CA2 (0.46) ALDH1A1CYP2C9LMNAALBTSHR
SCHEMBL9018266 0.92 HPGD (0.47) ALDH1A1LMNAEGFRP4HTMKDM4E
SCHEMBL9018050 0.90 P4HTM (0.44) ALDH1A1TP53EGFRP4HTMKDM4E
SCHEMBL9018017 0.90 EGFR (0.45) EGFRP4HTMKMT2ASMN1; SMN2
SCHEMBL9018204 0.90 NPC1 (0.46) ALDH1A1P4HTMKDM4ENPC1RAB9A
SCHEMBL9017994 0.89 EGFR (0.41) ALDH1A1CA2EGFRP4HTMKDM4E
SCHEMBL9018404 0.89 EGLN1 (0.45) ALDH1A1CYP2C9LMNAALBTSHR
SCHEMBL9018027 0.88 CA2 (0.52) ALDH1A1CYP2C9LMNAALBTSHR
SCHEMBL9018148 0.88 CA2 (0.42) ALDH1A1CYP2C9LMNAALBTSHR

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