SCHEMBL9018511

SCHEMBL9018511

COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)NC(=O)c3ccc(OC(=O)OCc4ccccc4)nc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
P4HTM Q9NXG6 1/20 0.48
OPRK1 P41145 5/20 0.47
OPRM1 P35372 3/20 0.47
PPARA Q07869 1/20 0.47
OPRD1 P41143 1/20 0.47
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.45
SGMS1 Q86VZ5 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL9018104 0.93 BCL2L1 (0.48) KMT2AMEN1RAB9ANPC1P4HTM
SCHEMBL9018237 0.93 CA1 (0.55) KMT2AMEN1RAB9ANPC1BCL2L1
SCHEMBL9018076 0.93 ALDH1A1 (0.49) KMT2AMEN1P4HTMOPRK1OPRM1
SCHEMBL9018298 0.91 PTPN1 (0.55) KMT2AMEN1P4HTMBCL2L1MCL1
SCHEMBL9018065 0.90 BCL2L1 (0.54) RAB9ANPC1PPARABCL2L1MCL1
SCHEMBL9018260 0.90 KMT2A (0.54) KMT2AMEN1RAB9ANPC1P4HTM
SCHEMBL9018305 0.90 BCL2L1 (0.46) KMT2AMEN1RAB9ANPC1P4HTM
SCHEMBL9018057 0.90 KMT2A (0.58) KMT2AMEN1RAB9ANPC1P4HTM
SCHEMBL9018112 0.89 LMNA (0.51) KMT2AMEN1RAB9ANPC1PPARA
SCHEMBL9018402 0.89 POLB (0.45) KMT2AMEN1RAB9ANPC1BCL2L1

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