SCHEMBL11546144

SCHEMBL11546144

NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ HPGD P15428 2/20 0.61
▸ HIF1A Q16665 2/20 0.61
▸ USP2 O75604 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ SLC6A4 P31645 1/20 0.61
▸ ERAP1 Q9NZ08 2/20 0.43
▸ ERAP2 Q6P179 1/20 0.43
▸ CA1 P00915 5/20 0.41
▸ CA2 P00918 5/20 0.41
▸ CA9 Q16790 5/20 0.41
▸ CA12 O43570 4/20 0.41
▸ GAA P10253 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MMP2 P08253 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
SCHEMBL11545196 0.99 KDM4E (0.60) KDM4EHSD17B10ALDH1A1HPGDHIF1A
SCHEMBL11545593 0.91 KDM4E (0.54) KDM4EHSD17B10ALDH1A1HPGDHIF1A
SCHEMBL11544741 0.90 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDHIF1A
SCHEMBL11541774 0.90 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDHIF1A
SCHEMBL11542435 0.87 ALDH1A1 (0.55) KDM4EHSD17B10ALDH1A1HPGDHIF1A
SCHEMBL11548825 0.85 ALDH1A1 (0.45) KDM4EHSD17B10ALDH1A1HPGDHIF1A
SCHEMBL11552445 0.85 KDM4E (0.45) KDM4EHSD17B10ALDH1A1HPGDHIF1A
SCHEMBL11548139 0.84 ALDH1A1 (0.47) KDM4EHSD17B10ALDH1A1HPGDHIF1A
SCHEMBL11547136 0.79 KDM4E (0.65) KDM4EHSD17B10ALDH1A1HPGDHIF1A
SCHEMBL11544500 0.79 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDHIF1A

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-4161531-A Diuretic and saluretic 5-sulfamoylbenzoic acid derivatives carrying a heterocyclic substituent HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-17 — — 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
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