SCHEMBL13412240

SCHEMBL13412240

CCOC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)NC1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.82
▸ ALDH1A1 P00352 5/20 0.75
▸ HTT P42858 2/20 0.75
▸ ATM Q13315 1/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ GAA P10253 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ CACNA1F O60840 3/20 0.57
▸ CACNA1D Q01668 3/20 0.57
▸ CACNA1S Q13698 3/20 0.57
▸ CACNA1C Q13936 3/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ ELANE P08246 2/20 0.56
▸ CYP2C9 P11712 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ POLB P06746 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL392493 0.95 MAPT (0.84) MAPTALDH1A1HTTATMSMN1; SMN2
SCHEMBL2894531 0.91 MAPT (0.72) MAPTALDH1A1HTTATMSMN1; SMN2
SCHEMBL13412239 0.91 MAPT (0.83) MAPTALDH1A1HTTATMSMN1; SMN2
SCHEMBL8344218 0.91 MAPT (0.69) MAPTALDH1A1HTTATMSMN1; SMN2
SCHEMBL13412241 0.91 MAPT (0.69) MAPTALDH1A1HTTATMSMN1; SMN2
SCHEMBL2892089 0.82 ELANE (0.74) MAPTALDH1A1HTTSMN1; SMN2ELANE
SCHEMBL4547759 0.82 ALDH1A1 (0.61) MAPTALDH1A1HTTATMSMN1; SMN2
SCHEMBL14899931 0.82 MAPT (0.70) MAPTALDH1A1HTTATMSMN1; SMN2
SCHEMBL3394058 0.79 ALDH1A1 (0.71) MAPTALDH1A1HTTSMN1; SMN2GAA
SCHEMBL19752716 0.79 ALDH1A1 (0.71) MAPTALDH1A1HTTSMN1; SMN2GAA

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
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 — — US disclosed
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 — — US disclosed
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