SCHEMBL5758809

SCHEMBL5758809

COCCn1cc(C(=O)NCc2ccc(C(=O)OC)cc2)c(=O)n(-c2cccc(Cl)c2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.45
MAPK8 P45983 3/20 0.43
KLKB1 P03952 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ELANE P08246 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
HDAC1 Q13547 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
P2RX7 Q99572 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6216694 0.95 PDE10A (0.44) PDE10AMAPK8KLKB1RXFP1KDM4E
SCHEMBL5756461 0.93 PDE10A (0.48) PDE10AKLKB1RXFP1ELANETP53
SCHEMBL5759073 0.91 TP53 (0.49) PDE10AKLKB1RXFP1ELANETP53
SCHEMBL5759317 0.90 TP53 (0.52) PDE10ARXFP1ELANETP53LMNA
SCHEMBL5759479 0.90 PDE10A (0.48) PDE10ARXFP1ELANETP53P2RX7
SCHEMBL5757018 0.89 ELANE (0.53) KDM4EELANEMAPT
SCHEMBL27624377 0.89 PDE10A (0.45) PDE10AKLKB1RXFP1ELANETP53
SCHEMBL5759410 0.88 PDE10A (0.48) PDE10AKLKB1ELANETP53LMNA
SCHEMBL5758260 0.88 PDE10A (0.46) PDE10AMAPK8KLKB1ELANEP2RX7
SCHEMBL5760593 0.88 ELANE (0.55) PDE10AMAPK8ELANE

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-B1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-05-03 EP disclosed
CN-1711243-A 2-pyridone derivatives as inhibitors of neutrophil elastase ASTRAZENECA AB (SE) 2005-12-21 CN disclosed