SCHEMBL28122706

SCHEMBL28122706

COC(=O)c1nc(Cl)sc1-c1ccc(OC)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.71
▸ PKM P14618 3/20 0.71
▸ ALDH1A1 P00352 6/20 0.59
▸ L3MBTL1 Q9Y468 5/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ RCE1 Q9Y256 1/20 0.52
▸ HPGD P15428 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ MAPT P10636 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ TDP1 Q9NUW8 3/20 0.48
▸ ATM Q13315 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALOX5 P09917 1/20 0.47
▸ PTGS2 P35354 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ CA1 P00915 1/20 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
SCHEMBL9587190 0.85 KDM4E (0.69) KDM4EPKMALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL496662 0.84 KDM4E (0.72) KDM4EPKMALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5530041 0.77 ALDH1A1 (0.61) KDM4EALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL9587412 0.76 KDM4E (0.51) KDM4EPKMALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL495789 0.75 KDM4E (0.72) KDM4EPKMALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9586961 0.74 KDM4E (1.00) KDM4EPKMALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL28122725 0.74 KDM4E (0.58) KDM4EPKMALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL11751223 0.73 ALOX5 (0.58) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL11751772 0.73 ALOX5 (0.58) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL18003674 0.72 KDM4E (0.57) KDM4EPKMALDH1A1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414434-A Isothiazole derivatives as gpr120 agonists for the treatment of type ii diabetes 詹森药业有限公司 2017-02-15 — — CN disclosed
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