SCHEMBL9018017

SCHEMBL9018017

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.45
P4HTM Q9NXG6 4/20 0.44
PTGS2 P35354 3/20 0.42
GABRA5 P31644 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRA1 P14867 1/20 0.40
EPHX2 P34913 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9018004 0.91 P4HTM (0.48) EGFRP4HTMPTGS2GABRA5OPRM1
SCHEMBL9018050 0.90 P4HTM (0.44) EGFRP4HTMGABRA5MEN1USP2
SCHEMBL9018337 0.90 ALDH1A1 (0.45) EGFRP4HTMKMT2ASMN1; SMN2
SCHEMBL9017994 0.89 EGFR (0.41) EGFRP4HTMPTGS2KMT2AEPHX2
SCHEMBL9018016 0.88 SCN3A (0.49) P4HTMOPRM1OPRD1OPRK1CA12
SCHEMBL9018412 0.88 OPRM1 (0.48) EGFRP4HTMGABRA5OPRM1OPRD1
SCHEMBL9018169 0.88 CA2 (0.50) EGFRP4HTM
SCHEMBL9018013 0.88 P4HTM (0.58) EGFRP4HTMPTGS2GABRA5
SCHEMBL9018479 0.88 EGFR (0.43) EGFRP4HTMPTGS2GABRA5OPRM1
SCHEMBL9018266 0.87 HPGD (0.47) EGFRP4HTMMEN1KMT2ASMN1; SMN2

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