SCHEMBL9018037

SCHEMBL9018037

COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)NC(=O)c3ccc(OC(=O)OC(C)C)nc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
P4HTM Q9NXG6 1/20 0.50
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.46
OPRK1 P41145 5/20 0.46
OPRM1 P35372 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TGM6 O95932 1/20 0.44
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
NPC1 O15118 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
SCHEMBL9018057 0.94 KMT2A (0.58) KMT2AMEN1P4HTMALDH1A1MAPT
SCHEMBL9018524 0.93 MAPT (0.50) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL9018256 0.92 KMT2A (0.52) KMT2AMEN1P4HTMALDH1A1MAPT
SCHEMBL9018480 0.91 MEN1 (0.47) KMT2AMEN1P4HTMMAPTLMNA
SCHEMBL9018040 0.91 SMN1; SMN2 (0.55) KMT2AMEN1P4HTMALDH1A1MAPT
SCHEMBL9018146 0.91 CA1 (0.56) KMT2AMEN1P4HTMALDH1A1MAPT
SCHEMBL9018557 0.90 MAPT (0.51) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL9018127 0.90 PPARA (0.49) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL9018339 0.90 PPARA (0.49) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL9018107 0.90 MAPT (0.51) KMT2AMEN1MAPTLMNARAB9A

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