SCHEMBL9018022

SCHEMBL9018022

COC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)cn1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
HPGD P15428 1/20 0.60
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 4/20 0.50
CXCR1 P25024 1/20 0.50
CXCR2 P25025 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 2/20 0.48
SGMS1 Q86VZ5 3/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NAMPT P43490 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL9018559 0.88 MEN1 (0.53) ALDH1A1HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL9574735 0.88 ALDH1A1 (0.52) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL9018365 0.87 L3MBTL1 (0.61) ALDH1A1HPGDKMT2AMEN1GAA
SCHEMBL9018028 0.86 PTPN1 (0.53) ALDH1A1HPGDSMN1; SMN2POLBSGMS1
SCHEMBL9018162 0.86 SMN1; SMN2 (0.54) ALDH1A1HPGDKMT2ASMN1; SMN2HSD17B10
SCHEMBL9018308 0.86 P4HTM (0.46) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL7871607 0.86 ALDH1A1 (0.52) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL7862776 0.85 L3MBTL1 (0.54) ALDH1A1HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL9140161 0.85 ALDH1A1 (0.59) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL9018504 0.85 CA12 (0.46) ALDH1A1HPGDKMT2APOLBHSD17B10

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