SCHEMBL13412239

SCHEMBL13412239

CCOC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)NC1c1ccc(Cl)cc1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.83
▸ ALDH1A1 P00352 6/20 0.63
▸ HTT P42858 3/20 0.63
▸ ELANE P08246 5/20 0.55
▸ CYP2C9 P11712 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ GAA P10253 3/20 0.51
▸ ATM Q13315 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALOX12 P18054 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CYP3A4 P08684 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ PKM P14618 1/20 0.49

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
SCHEMBL14899931 0.92 MAPT (0.70) MAPTALDH1A1HTTELANECYP2C9
SCHEMBL13412241 0.91 MAPT (0.69) MAPTALDH1A1HTTELANECYP2C9
SCHEMBL8344218 0.91 MAPT (0.69) MAPTALDH1A1HTTELANECYP2C9
SCHEMBL13412240 0.91 MAPT (0.82) MAPTALDH1A1HTTELANECYP2C9
SCHEMBL392493 0.86 MAPT (0.84) MAPTALDH1A1HTTSMN1; SMN2GAA
SCHEMBL8344050 0.85 MAPT (0.62) MAPTALDH1A1HTTELANECYP2C9
SCHEMBL2892089 0.83 ELANE (0.74) MAPTALDH1A1HTTELANECYP2C9
SCHEMBL2888564 0.82 ELANE (0.79) MAPTALDH1A1HTTELANECYP2C9
SCHEMBL2894531 0.82 MAPT (0.72) MAPTALDH1A1HTTELANECYP2C9
SCHEMBL2896028 0.79 ELANE (0.77) MAPTALDH1A1HTTELANECYP2C9

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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