SCHEMBL9018451

SCHEMBL9018451

CCCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)OCC)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 6/20 0.42
STS P08842 2/20 0.42
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL9018200 0.95 ALDH1A1 (0.48) HSD17B10ALDH1A1KMT2APKMGAA
SCHEMBL9018292 0.93 HSD17B10 (0.48) HSD17B10ALDH1A1STSSMN1; SMN2
SCHEMBL9018151 0.93 HSD17B10 (0.52) HSD17B10ALDH1A1STSLMNA
SCHEMBL9018051 0.90 ALDH1A1 (0.45) ALDH1A1RAB9AKMT2AHDAC3HDAC4
SCHEMBL9018322 0.90 HSD17B10 (0.48) HSD17B10ALDH1A1STSLMNA
SCHEMBL9018453 0.90 HSD17B10 (0.48) HSD17B10ALDH1A1STSRAB9AGAA
SCHEMBL9018387 0.90 STS (0.48) HSD17B10ALDH1A1STSRAB9AKMT2A
SCHEMBL9018529 0.90 STS (0.48) HSD17B10ALDH1A1STSRAB9AKMT2A
SCHEMBL9018078 0.89 ACACB (0.48) ALDH1A1KMT2ASMN1; SMN2LMNATP53
SCHEMBL9018125 0.89 HSD17B10 (0.48) HSD17B10ALDH1A1STSRAB9ALMNA

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