SCHEMBL9018065

SCHEMBL9018065

O=C(OCc1ccccc1)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 4/20 0.54
MCL1 Q07820 4/20 0.54
PPARA Q07869 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
EGFR P00533 1/20 0.48
FLT1 P17948 2/20 0.47
FLT4 P35916 2/20 0.47
KDR P35968 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PRMT1 Q99873 1/20 0.46
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
GFER P55789 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 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 0.95 BCL2L1 (0.48) BCL2L1MCL1PPARASMN1; SMN2NPC1
SCHEMBL9018511 0.90 KMT2A (0.51) BCL2L1MCL1PPARASMN1; SMN2NPC1
SCHEMBL9018506 0.90 PPARA (0.56) BCL2L1MCL1PPARASMN1; SMN2NPC1
SCHEMBL9018305 0.90 BCL2L1 (0.46) BCL2L1MCL1SMN1; SMN2NPC1RAB9A
SCHEMBL9018417 0.90 NPC1 (0.46) BCL2L1MCL1SMN1; SMN2NPC1RAB9A
SCHEMBL9018032 0.89 HSP90AA1 (0.46) BCL2L1MCL1SMN1; SMN2NPC1RAB9A
SCHEMBL9017979 0.89 PPARA (0.50) BCL2L1MCL1PPARASMN1; SMN2NPC1
SCHEMBL9018220 0.89 PPARA (0.50) BCL2L1MCL1PPARASMN1; SMN2NPC1
SCHEMBL9018347 0.88 EGFR (0.53) BCL2L1MCL1PPARASMN1; SMN2NPC1
SCHEMBL9139097 0.87 BCL2L1 (0.55) BCL2L1MCL1PPARASMN1; SMN2NPC1

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