SCHEMBL9018242

SCHEMBL9018242

CCC(CC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(CCNC(=O)c3cc(OC)ccc3Cl)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.43
ALDH1A1 P00352 6/20 0.43
LMNA P02545 5/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FBP1 P09467 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
GAA P10253 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
SCHEMBL9018478 0.94 KMT2A (0.46) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL9018184 0.93 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL9018248 0.88 NLRP3 (0.52) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL9018003 0.88 CA1 (0.49) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL9018174 0.87 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL9018505 0.87 MAPT (0.50) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL9018403 0.87 PPARA (0.45) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL7870479 0.86 KMT2A (0.45) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL7867689 0.86 KMT2A (0.45) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL9018111 0.86 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A

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