SCHEMBL14263019

SCHEMBL14263019

O=c1oc(-c2cccs2)nc2cc3c(cc12)OCO3

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ KDM4E B2RXH2 8/20 0.62
▸ ALDH1A1 P00352 7/20 0.62
▸ HPGD P15428 4/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ F2 P00734 1/20 0.61
▸ RPS6KB2 Q9UBS0 2/20 0.57
▸ GAA P10253 3/20 0.57
▸ MAPT P10636 2/20 0.57
▸ CTSG P08311 7/20 0.50
▸ KLK7 P49862 7/20 0.50
▸ KLK14 Q9P0G3 7/20 0.50
▸ KLK5 Q9Y337 7/20 0.50
▸ PRSS1 P07477 3/20 0.50
▸ CASP1 P29466 2/20 0.50

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
SCHEMBL915806 0.80 HSD17B10 (0.67) HSD17B10MAPK1KDM4EALDH1A1HPGD
SCHEMBL8068689 0.77 HSD17B10 (1.00) HSD17B10MAPK1KDM4EALDH1A1HPGD
SCHEMBL913374 0.76 ALDH1A1 (1.00) HSD17B10MAPK1KDM4EALDH1A1HPGD
SCHEMBL914097 0.76 ALDH1A1 (0.81) HSD17B10MAPK1KDM4EALDH1A1HPGD
SCHEMBL13701234 0.76 ALDH1A1 (0.72) HSD17B10MAPK1KDM4EALDH1A1HPGD
SCHEMBL913449 0.76 ALDH1A1 (1.00) HSD17B10MAPK1KDM4EALDH1A1HPGD
SCHEMBL8070379 0.73 KDM4E (0.75) HSD17B10MAPK1KDM4EALDH1A1HPGD
SCHEMBL914239 0.73 KDM4E (0.67) HSD17B10MAPK1KDM4EALDH1A1HPGD
SCHEMBL8059761 0.73 MAPK1 (0.72) HSD17B10MAPK1KDM4EALDH1A1HPGD
SCHEMBL13700976 0.72 ALDH1A1 (0.66) HSD17B10MAPK1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7339057-B2 Method for preparing fused oxazinones from ortho-amino aromatic carboxylic acid and carboxylic acid in the presence of a sulfonyl chloride and pyridine E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-04 — — US disclosed
US-7339057-B2 Method for preparing fused oxazinones from ortho-amino aromatic carboxylic acid and carboxylic acid in the presence of a sulfonyl chloride and pyridine E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-04 — — US disclosed
US-7276601-B2 Method and preparing fused oxazinones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-02 — — US disclosed
US-7276601-B2 Method and preparing fused oxazinones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-02 — — US disclosed
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