SCHEMBL11545593

SCHEMBL11545593

Nc1ccc(Cc2c(N3CCCC3)cc(C(=O)O)cc2S(N)(=O)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ USP2 O75604 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ GAA P10253 3/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MMP2 P08253 1/20 0.39
▸ ERAP1 Q9NZ08 5/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ GFER P55789 1/20 0.38

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
SCHEMBL11546144 0.91 KDM4E (0.61) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11544741 0.90 KDM4E (0.53) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11541774 0.90 KDM4E (0.53) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11545196 0.90 KDM4E (0.60) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11542435 0.87 ALDH1A1 (0.55) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11543847 0.84 KDM4E (0.42) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11540631 0.77 KDM4E (0.83) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11544500 0.77 KDM4E (0.53) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11543210 0.76 KDM4E (0.81) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11548825 0.76 ALDH1A1 (0.45) 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 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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