SCHEMBL9017988

SCHEMBL9017988

CCC(CC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.48
EGFR P00533 1/20 0.48
FLT1 P17948 2/20 0.44
FLT4 P35916 2/20 0.44
KDR P35968 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL9018230 1.00 PPARA (0.48) PPARAEGFRFLT1FLT4KDR
SCHEMBL9018271 0.93 PPARA (0.47) PPARAEGFRFLT1FLT4KDR
SCHEMBL9018100 0.93 PPARA (0.47) PPARAEGFRFLT1FLT4KDR
SCHEMBL9017982 0.92 PPARA (0.47) PPARAEGFRFLT1FLT4KDR
SCHEMBL9018306 0.92 PPARA (0.47) PPARAEGFRFLT1FLT4KDR
SCHEMBL9018380 0.92 MEN1 (0.46) PPARAMEN1KMT2ABCL2L1MCL1
SCHEMBL9017999 0.92 MAPT (0.49) PPARAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9018061 0.92 MAPT (0.49) MEN1KMT2ABCL2L1MCL1MAPT
SCHEMBL9018462 0.92 MAPT (0.49) MEN1KMT2ABCL2L1MCL1MAPT
SCHEMBL9018127 0.91 PPARA (0.49) PPARAEGFRFLT1FLT4KDR

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