SCHEMBL9018307

SCHEMBL9018307

CCCC(CCC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCC)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.41
P4HTM Q9NXG6 4/20 0.41
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
EPHX2 P34913 3/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
GABRA5 P31644 3/20 0.36
PTGS2 P35354 2/20 0.36
GABRA1 P14867 1/20 0.35

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
SCHEMBL9018203 0.92 EGFR (0.42) EGFRP4HTMCA12CA9OPRM1
SCHEMBL9018422 0.92 CA2 (0.41) EGFRP4HTMOPRK1EPHX2
SCHEMBL9018397 0.91 P4HTM (0.41) EGFRP4HTMEPHX2GABRA5
SCHEMBL9018082 0.90 CA2 (0.47) EGFRP4HTMOPRK1EPHX2
SCHEMBL9018309 0.89 SCN3A (0.46) P4HTMCA12CA9OPRM1OPRD1
SCHEMBL9018299 0.89 EPHX2 (0.38) EGFRP4HTMEPHX2
SCHEMBL9018479 0.89 EGFR (0.43) EGFRP4HTMCA12CA9OPRM1
SCHEMBL9018004 0.89 P4HTM (0.48) EGFRP4HTMCA12CA9OPRM1
SCHEMBL9018513 0.89 NPC1 (0.47) P4HTMCA9OPRM1OPRD1OPRK1
SCHEMBL9018283 0.88 KMT2A (0.43) EPHX2

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