SCHEMBL5711739

SCHEMBL5711739

CCOC(=O)C(Sc1cccc2cccnc12)C(=O)OCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 14/20 0.64
▸ ALDH1A1 P00352 12/20 0.64
▸ HPGD P15428 11/20 0.64
▸ HSD17B10 Q99714 5/20 0.64
▸ HTT P42858 3/20 0.64
▸ TP53 P04637 1/20 0.64
▸ MAPT P10636 7/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ PSMD14 O00487 2/20 0.44

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
SCHEMBL5711760 0.94 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL7373916 0.77 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL7373108 0.76 TDP1 (0.44) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL27522882 0.74 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL30885344 0.74 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL3640667 0.74 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL15820245 0.73 POLB (0.54) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL14040562 0.73 ALDH1A1 (0.63) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL6822984 0.73 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL7373427 0.72 ACHE (0.44) KDM4EALDH1A1HPGDHSD17B10MAPT

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
EP-0582198-B1 Substituted (hetero-)aryle compounds, process for their preparation, those containing compositions and their use as safeners BAYER CROPSCIENCE GMBH (DE) 2006-02-08 — — EP claimed
EP-0582198-B1 Substituted (hetero-)aryle compounds, process for their preparation, those containing compositions and their use as safeners BAYER CROPSCIENCE GMBH (DE) 2006-02-08 — — EP disclosed
US-6482947-B1 Substituted (hetero) aryl compounds, process for their preparation, agents containing them and their use as safeners HOECHST AKTIENGESELLSCHAFT (DE) 2002-11-19 — — US disclosed
US-5739079-A CEREAL, RICE, CORN CROP SAFENER MIXED WITH WEED HERBICIDE HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-14 — — US disclosed
EP-0582198-A2 Substituted (hetero-)aryle compounds, process for their preparation, those containing compositions and their use as safeners Hoechst Schering AgrEvo GmbH (DE) 1994-02-09 — — EP disclosed
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