SCHEMBL11545370

SCHEMBL11545370

NS(=O)(=O)c1ccc(Oc2c(N3CCCC3)cc(C(=O)O)cc2S(N)(=O)=O)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.83
KDM4E B2RXH2 4/20 0.83
HSD17B10 Q99714 3/20 0.83
USP2 O75604 2/20 0.83
LMNA P02545 2/20 0.83
HPGD P15428 2/20 0.83
HIF1A Q16665 2/20 0.83
SLC6A4 P31645 1/20 0.83
CA2 P00918 9/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
SLC12A2 P55011 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA1 P00915 7/20 0.42
CA9 Q16790 7/20 0.42
CA14 Q9ULX7 7/20 0.42
CA12 O43570 6/20 0.41
CA7 P43166 5/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 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
SCHEMBL11540802 0.91 KDM4E (0.83) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL11540631 0.91 KDM4E (0.83) ALDH1A1KDM4EHSD17B10USP2LMNA
Piretanide SCHEMBL1741994 0.91 KDM4E (1.00) ALDH1A1KDM4EHSD17B10USP2LMNA
Piretanide SCHEMBL49473 0.91 KDM4E (1.00) ALDH1A1KDM4EHSD17B10USP2LMNA
Piretanide SCHEMBL30230376 0.91 KDM4E (1.00) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL11543210 0.90 KDM4E (0.81) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL11542529 0.90 LMNA (0.81) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL11542957 0.90 KDM4E (0.81) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL11541394 0.90 KDM4E (0.81) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL11543232 0.90 KDM4E (0.81) ALDH1A1KDM4EHSD17B10USP2LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4161531-A Diuretic and saluretic 5-sulfamoylbenzoic acid derivatives carrying a heterocyclic substituent HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-17 US disclosed
US-4118397-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4111953-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed
US-4093735-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-06 US disclosed
US-4010273-A DIURETICS, SALURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 US disclosed