SCHEMBL9018174

SCHEMBL9018174

CCCC(CCC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cc(OC)ccc3Cl)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
NLRP3 Q96P20 2/20 0.41
P4HTM Q9NXG6 1/20 0.41
ABCC8 Q09428 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
RAB9A P51151 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL9018184 0.94 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL9018156 0.92 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL9018111 0.92 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL7871643 0.92 KMT2A (0.51) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL9018425 0.91 KMT2A (0.47) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL9018090 0.90 KMT2A (0.50) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL9018558 0.89 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL9018242 0.87 SMN1; SMN2 (0.43) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL7862785 0.87 LMNA (0.52) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL9018427 0.86 CA1 (0.53) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1

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