SCHEMBL9018149

SCHEMBL9018149

CC[C@H](C)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(C)=O)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACACB O00763 3/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
P4HTM Q9NXG6 2/20 0.39
EGFR P00533 2/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 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
SCHEMBL9018285 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2ACACBPOLBMEN1
SCHEMBL9018138 0.92 ACACB (0.44) ALDH1A1SMN1; SMN2ACACBPOLBMEN1
SCHEMBL9018069 0.92 MEN1 (0.46) ALDH1A1SMN1; SMN2ACACBPOLBMEN1
SCHEMBL9018424 0.91 MEN1 (0.45) SMN1; SMN2MEN1KMT2AP4HTMOPRM1
SCHEMBL9018135 0.91 MEN1 (0.45) SMN1; SMN2MEN1KMT2AP4HTMOPRM1
SCHEMBL9018208 0.91 ALDH1A1 (0.45) ALDH1A1POLBP4HTMEGFROPRM1
SCHEMBL9018145 0.91 MAPT (0.49) SMN1; SMN2MEN1KMT2ACA1CA2
SCHEMBL9017982 0.91 PPARA (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AEGFR
SCHEMBL9018306 0.91 PPARA (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AEGFR
SCHEMBL9018413 0.91 MAPT (0.48) ALDH1A1SMN1; SMN2MEN1KMT2ACA1

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