SCHEMBL9018529

SCHEMBL9018529

CCCCCCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)OC)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 6/20 0.46
CNR1 P21554 1/20 0.46
TRPV1 Q8NER1 2/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL9018387 1.00 STS (0.48) STSHSD17B10ALDH1A1CNR1TRPV1
SCHEMBL9018322 0.99 HSD17B10 (0.48) STSHSD17B10ALDH1A1CNR1TRPV1
SCHEMBL9018151 0.96 HSD17B10 (0.52) STSHSD17B10ALDH1A1CNR1POLB
SCHEMBL9018243 0.93 ALDH1A1 (0.50) HSD17B10ALDH1A1MEN1KMT2ARAB9A
SCHEMBL9018292 0.90 HSD17B10 (0.48) STSHSD17B10ALDH1A1TRPV1POLB
SCHEMBL9018453 0.90 HSD17B10 (0.48) STSHSD17B10ALDH1A1CNR1RAB9A
SCHEMBL9018451 0.90 HSD17B10 (0.50) STSHSD17B10ALDH1A1KMT2ARAB9A
SCHEMBL9018125 0.89 HSD17B10 (0.48) STSHSD17B10ALDH1A1CNR1RAB9A
SCHEMBL9018176 0.88 LMNA (0.47) ALDH1A1MEN1KMT2ARAB9APOLB
SCHEMBL9139542 0.87 STS (0.49) STSHSD17B10ALDH1A1CNR1TRPV1

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