SCHEMBL11544741

SCHEMBL11544741

NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ MMP2 P08253 1/20 0.43
▸ TDP1 Q9NUW8 4/20 0.40
▸ POLB P06746 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ERAP1 Q9NZ08 3/20 0.39
▸ CA12 O43570 3/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL11545593 0.90 KDM4E (0.54) KDM4EHSD17B10ALDH1A1USP2LMNA
SCHEMBL11546144 0.90 KDM4E (0.61) KDM4EHSD17B10ALDH1A1USP2LMNA
SCHEMBL11541774 0.89 KDM4E (0.53) KDM4EHSD17B10ALDH1A1USP2LMNA
SCHEMBL11545196 0.89 KDM4E (0.60) KDM4EHSD17B10ALDH1A1USP2LMNA
SCHEMBL11542435 0.86 ALDH1A1 (0.55) KDM4EHSD17B10ALDH1A1USP2LMNA
SCHEMBL11543283 0.85 KDM4E (0.40) KDM4EHSD17B10ALDH1A1USP2LMNA
SCHEMBL11541751 0.78 KDM4E (0.60) KDM4EHSD17B10ALDH1A1USP2LMNA
SCHEMBL11543232 0.78 KDM4E (0.81) KDM4EHSD17B10ALDH1A1USP2LMNA
SCHEMBL11547152 0.78 KDM4E (0.53) KDM4EHSD17B10ALDH1A1USP2LMNA
SCHEMBL11543830 0.77 KDM4E (0.80) KDM4EHSD17B10ALDH1A1USP2LMNA

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
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