SCHEMBL11544207

SCHEMBL11544207

Cc1cccc(Oc2c(N3CCC(C)C3)cc(C(=O)O)cc2S(N)(=O)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ USP2 O75604 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ HPGD P15428 2/20 0.61
▸ HIF1A Q16665 2/20 0.61
▸ SLC6A4 P31645 1/20 0.61
▸ CA2 P00918 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ SLC12A2 P55011 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ FFAR1 O14842 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35

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
SCHEMBL11543896 0.91 ALDH1A1 (0.73) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11544254 0.90 KDM4E (0.57) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11541453 0.89 ALDH1A1 (0.61) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11544942 0.87 KDM4E (0.57) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11628012 0.87 KDM4E (0.80) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11545177 0.85 KDM4E (0.61) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11548920 0.85 ALDH1A1 (0.61) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11540164 0.85 ALDH1A1 (0.61) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11626926 0.85 KDM4E (0.51) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11543563 0.85 KDM4E (0.60) 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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