SCHEMBL7291013

SCHEMBL7291013

NS(=O)(=O)c1cc(C(=O)O)cc(CCCn2cccc2)c1Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ USP2 O75604 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ CA2 P00918 3/20 0.53
▸ TSHR P16473 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ SLC12A2 P55011 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ PTGS2 P35354 5/20 0.40
▸ AQP1 P29972 1/20 0.39
▸ AKR1C3 P42330 2/20 0.36
▸ PKM P14618 1/20 0.35
▸ SOS1 Q07889 1/20 0.35
▸ SRD5A2 P31213 2/20 0.34
▸ P2RX4 Q99571 1/20 0.34

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
SCHEMBL11540030 0.94 KDM4E (0.55) KDM4EUSP2ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL11540442 0.84 KDM4E (0.56) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11538214 0.83 KDM4E (0.58) KDM4EUSP2ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL11539001 0.82 KDM4E (0.57) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11541800 0.81 CA2 (0.38) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11540082 0.81 KDM4E (0.56) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11538413 0.81 KDM4E (0.53) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11121179 0.79 KDM4E (0.51) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11540200 0.79 KDM4E (0.54) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11541795 0.79 CA2 (0.37) KDM4EUSP2ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0011818-B1 MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS BASED ON ALDOSTERONE ANTAGONISTS AND DIURETICS AND PROCESS FOR THEIR MANUFACTURE CIBA-GEIGY AG (CH) 1983-01-19 — — EP claimed
US-4261985-A REDUCED EXCRETION OF POTASSIUM IONS BY INCLUSION OF ALDOSTERONE ANTAGONIST CIBA-GEIGY CORPORATION (US) 1981-04-14 — — US claimed
EP-0011818-A1 Medicaments and pharmaceutical compositions based on aldosterone antagonists and diuretics and process for their manufacture CIBA-GEIGY AG (CH) 1980-06-11 — — EP claimed
EP-0165902-B1 EPOXY STEROIDS CIBA-GEIGY AG (CH) 1989-04-19 — — EP disclosed
US-4670551-A ALDOSTERONE ANTAGONIST CIBA-GEIGY CORPORATION (US) 1987-06-02 — — US disclosed
EP-0165902-A2 Epoxy steroids CIBA-GEIGY AG (CH) 1985-12-27 — — EP disclosed
US-4559332-A 20-Spiroxanes and analogues having an open ring E, processes for their manufacture, and pharmaceutical preparations thereof CIBA GEIGY CORPORATION (US) 1985-12-17 — — US disclosed
US-4552871-A ALDOSTERONE-ANTAGONISTIC, DIURETICS CIBA GEIGY CORPORATION (US) 1985-11-12 — — US disclosed
EP-0122882-A1 Steroids of the 20-spiroxan series, process for their preparation, pharmaceutical compositions containing them and use of these compositions CIBA-GEIGY AG (CH) 1984-10-24 — — EP disclosed
EP-0122232-A1 20-Spiroxanes and analogues with open ring E, process for their preparation and pharmaceutical compositions CIBA-GEIGY AG (CH) 1984-10-17 — — EP disclosed
EP-0011818-B1 MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS BASED ON ALDOSTERONE ANTAGONISTS AND DIURETICS AND PROCESS FOR THEIR MANUFACTURE CIBA-GEIGY AG (CH) 1983-01-19 — — EP disclosed
US-4261985-A REDUCED EXCRETION OF POTASSIUM IONS BY INCLUSION OF ALDOSTERONE ANTAGONIST CIBA-GEIGY CORPORATION (US) 1981-04-14 — — US disclosed
EP-0011818-A1 Medicaments and pharmaceutical compositions based on aldosterone antagonists and diuretics and process for their manufacture CIBA-GEIGY AG (CH) 1980-06-11 — — EP disclosed
US-4176190-A Diuretic and saliuretic sulphamoylbenzoic acids CIBA-GEIGY CORPORATION (US) 1979-11-27 — — US disclosed
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