SCHEMBL4302442

SCHEMBL4302442

COc1ccc(CC(N)=NOC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ GAA P10253 2/20 0.61
▸ TDP1 Q9NUW8 6/20 0.59
▸ L3MBTL1 Q9Y468 4/20 0.59
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ LMNA P02545 4/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ CRHBP P24387 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ PKM P14618 1/20 0.51
▸ HTT P42858 1/20 0.51

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
SCHEMBL4302439 1.00 MAPT (0.61) MAPTALDH1A1GAATDP1L3MBTL1
SCHEMBL23094257 0.85 MAPT (0.63) MAPTALDH1A1GAATDP1L3MBTL1
SCHEMBL23094183 0.84 MAPT (0.73) MAPTALDH1A1TDP1L3MBTL1CYP1A2
SCHEMBL4302445 0.82 OGG1 (0.45) MAPTALDH1A1GAAL3MBTL1LMNA
SCHEMBL23094206 0.78 ALDH1A1 (0.79) MAPTALDH1A1GAATDP1L3MBTL1
SCHEMBL23094214 0.77 MAPT (0.71) MAPTALDH1A1GAATDP1L3MBTL1
SCHEMBL23094200 0.77 LMNA (0.74) MAPTALDH1A1GAATDP1L3MBTL1
SCHEMBL23094192 0.77 ALDH1A1 (1.00) MAPTALDH1A1GAATDP1L3MBTL1
SCHEMBL23094204 0.77 ALDH1A1 (1.00) MAPTALDH1A1GAATDP1L3MBTL1
SCHEMBL23094216 0.75 TDP1 (0.67) MAPTALDH1A1GAATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131384-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING MALARIA, CONTAINING COMPOUNDS THAT INHIBIT PLASMEPSIN II ACTIVITY, AND METHOD OF TREATING MALARIA USING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-10-29 — — WO claimed
WO-2009131384-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING MALARIA, CONTAINING COMPOUNDS THAT INHIBIT PLASMEPSIN II ACTIVITY, AND METHOD OF TREATING MALARIA USING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-10-29 — — WO disclosed
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