SCHEMBL27644686

SCHEMBL27644686

COc1ccc(CNC(=O)c2ccc(C)n(-c3cc(CN)ccc3F)c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.54
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LSS P48449 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PKM P14618 1/20 0.45
KLK1 P06870 4/20 0.44
PDE10A Q9Y233 1/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ELANE P08246 1/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL5758015 0.90 KDM4E (0.51) KLKB1HPGDKDM4EALDH1A1LSS
SCHEMBL6212966 0.83 RXFP1 (0.50) KLKB1HPGDKDM4EALDH1A1PKM
SCHEMBL27624384 0.83 KLKB1 (0.49) KLKB1HPGDKDM4EALDH1A1PKM
SCHEMBL5758879 0.81 MAPT (0.52) KLKB1HPGDKDM4EALDH1A1LSS
SCHEMBL27644966 0.79 HPGD (0.50) HPGDKDM4EALDH1A1LSSHSD17B10
SCHEMBL5758889 0.79 CNR1 (0.50) HPGDALDH1A1TP53ELANEMAPT
SCHEMBL5759600 0.79 KDM4E (0.55) KLKB1HPGDKDM4EALDH1A1LSS
SCHEMBL5757304 0.78 TP53 (0.63) KLKB1HPGDKDM4EALDH1A1LSS
SCHEMBL27624403 0.77 KLKB1 (0.52) KLKB1HPGDKDM4EALDH1A1LSS
SCHEMBL5757268 0.77 TP53 (0.57) HPGDKDM4EALDH1A1LSSHSD17B10

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-1711243-A 2-pyridone derivatives as inhibitors of neutrophil elastase ASTRAZENECA AB (SE) 2005-12-21 CN disclosed