SCHEMBL9018090

SCHEMBL9018090

CCCC(CCC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccc(OC)cc3)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
P4HTM Q9NXG6 1/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
RAB9A P51151 2/20 0.44
OPRK1 P41145 4/20 0.44
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
POLB P06746 1/20 0.42
OPRM1 P35372 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
PPARA Q07869 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9018256 0.94 KMT2A (0.52) KMT2AMEN1P4HTMMAPTALDH1A1
SCHEMBL9018091 0.92 MEN1 (0.44) KMT2AMEN1P4HTMMAPTLMNA
SCHEMBL9018427 0.92 CA1 (0.53) KMT2AMEN1P4HTMMAPTALDH1A1
SCHEMBL9018100 0.91 PPARA (0.47) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL9018167 0.91 MAPT (0.48) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL9018271 0.91 PPARA (0.47) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL9018513 0.91 NPC1 (0.47) KMT2AMEN1P4HTMMAPTLMNA
SCHEMBL9018057 0.91 KMT2A (0.58) KMT2AMEN1P4HTMMAPTALDH1A1
SCHEMBL9018037 0.90 KMT2A (0.53) KMT2AMEN1P4HTMMAPTALDH1A1
SCHEMBL9018054 0.90 ACACB (0.43) KMT2AMEN1P4HTMALDH1A1LMNA

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