SCHEMBL6213682

SCHEMBL6213682

COc1ccc(CNC(=O)c2cccn(-c3cc(C)ccc3F)c2=O)cc1.Cc1ccc(F)c(-n2cccc(C(=O)NCc3ccc(Cl)cc3)c2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
POLB P06746 2/20 0.47
TP53 P04637 5/20 0.47
ABCB1 P08183 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5757751 0.96 HPGD (0.52) MAPTLMNAALDH1A1HPGDKDM4E
SCHEMBL5755694 0.93 HPGD (0.44) MAPTLMNAALDH1A1HPGDKDM4E
SCHEMBL5757140 0.87 HPGD (0.54) MAPTLMNAALDH1A1HPGDKDM4E
SCHEMBL27624384 0.86 KLKB1 (0.49) MAPTLMNAALDH1A1HPGDKDM4E
SCHEMBL5755639 0.85 CYP1A2 (0.48) MAPTLMNAALDH1A1HPGDKDM4E
SCHEMBL5755268 0.83 ALDH1A1 (0.48) MAPTLMNAALDH1A1HPGDKDM4E
SCHEMBL5757755 0.81 CA1 (0.52) ALDH1A1KDM4E
SCHEMBL5758015 0.80 KDM4E (0.51) MAPTLMNAALDH1A1HPGDKDM4E
SCHEMBL5757758 0.80 TP53 (0.61) MAPTLMNAALDH1A1HPGDKDM4E
SCHEMBL6212966 0.79 RXFP1 (0.50) MAPTLMNAALDH1A1HPGDKDM4E

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
EP-1562902-A1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE AstraZeneca AB (SE) 2005-08-17 EP disclosed
WO-2004043924-A1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2004-05-27 WO disclosed