SCHEMBL11540802

SCHEMBL11540802

NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccc(O)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.83
HSD17B10 Q99714 3/20 0.83
USP2 O75604 2/20 0.83
ALDH1A1 P00352 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 1/20 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
GAA P10253 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ERAP1 Q9NZ08 6/20 0.39
ERAP2 Q6P179 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL11542957 0.99 KDM4E (0.81) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11540631 0.91 KDM4E (0.83) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11545370 0.91 ALDH1A1 (0.83) KDM4EHSD17B10USP2ALDH1A1LMNA
Piretanide SCHEMBL30230376 0.91 KDM4E (1.00) KDM4EHSD17B10USP2ALDH1A1LMNA
Piretanide SCHEMBL1741994 0.91 KDM4E (1.00) KDM4EHSD17B10USP2ALDH1A1LMNA
Piretanide SCHEMBL49473 0.91 KDM4E (1.00) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11541394 0.90 KDM4E (0.81) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11543210 0.90 KDM4E (0.81) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11542529 0.90 LMNA (0.81) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11543232 0.90 KDM4E (0.81) KDM4EHSD17B10USP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4010273-A DIURETICS, SALURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 US claimed
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