SCHEMBL10370338

SCHEMBL10370338

O=C(O)c1cc(C(I)I)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.62
▸ ALDH1A1 P00352 5/20 0.62
▸ HPGD P15428 5/20 0.62
▸ HSD17B10 Q99714 5/20 0.62
▸ TDP1 Q9NUW8 3/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ CYP2C9 P11712 2/20 0.62
▸ CYP2C19 P33261 2/20 0.62
▸ GRM1 Q13255 2/20 0.62
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ PTGS2 P35354 2/20 0.55
▸ CA12 O43570 1/20 0.55
▸ ALOX5 P09917 1/20 0.55
▸ CA7 P43166 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ CA14 Q9ULX7 1/20 0.55
▸ KDR P35968 2/20 0.52
▸ TNF P01375 1/20 0.52

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
SCHEMBL9755165 0.83 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL27292295 0.81 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL2833452 0.80 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL1649282 0.80 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL11233617 0.78 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL11217868 0.78 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL14381820 0.78 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL25017789 0.77 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL12648660 0.77 HSD17B10 (1.00) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL9654462 0.77 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107930-B1 FUSED AROMATIC OXAZEPINONES AND SULPHUR ANALOGUES THEREOF AND THEIR PREPARATION AND USE IN COUNTERACTING HISTAMINE A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1990-11-28 — — EP disclosed
US-4812565-A ANTIHISTAMINE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 — — US disclosed
US-4810795-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 — — US disclosed
US-4727152-A Intermediates useful in the preparation of fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof A. H. ROBINS COMPANY, INC. (US) 1988-02-23 — — US disclosed
US-4705853-A ANTIHISTAMINES A. H. ROBINS COMPANY, INC. (US) 1987-11-10 — — US disclosed
US-4642343-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1987-02-10 — — US disclosed
US-4604388-A Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof in a method of counteracting histamine A. H. ROBINS COMPANY, INCORPORATED (US) 1986-08-05 — — US disclosed
US-4592866-A Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof A. H. ROBINS COMPANY, INC. (US) 1986-06-03 — — US disclosed
EP-0107930-A2 Fused aromatic oxazepinones and sulphur analogues thereof and their preparation and use in counteracting histamine A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1984-05-09 — — EP disclosed
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