SCHEMBL6212698

SCHEMBL6212698

COCCn1cc(C(=O)NCc2ccc(C)cc2)c(=O)n(-c2cccc(Cl)c2)c1=O.COCCn1cc(C(=O)NCc2cccc(Br)c2)c(=O)n(-c2cccc(Cl)c2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.46
RXFP1 Q9HBX9 2/20 0.45
TP53 P04637 3/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.42
KLKB1 P03952 1/20 0.41
ELANE P08246 2/20 0.40
APEX1 P27695 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL5757083 0.95 PDE10A (0.49) PDE10ATP53LMNAMAPTKMT2A
SCHEMBL5759073 0.93 TP53 (0.49) PDE10ARXFP1TP53LMNAMAPT
SCHEMBL5756461 0.88 PDE10A (0.48) PDE10ARXFP1TP53LMNAMAPT
SCHEMBL5759410 0.86 PDE10A (0.48) PDE10ATP53LMNAKMT2AKLKB1
SCHEMBL5759317 0.86 TP53 (0.52) PDE10ARXFP1TP53LMNAMAPT
SCHEMBL5759479 0.86 PDE10A (0.48) PDE10ARXFP1TP53ELANECNR2
SCHEMBL5758809 0.85 PDE10A (0.45) PDE10ARXFP1TP53LMNAMAPT
SCHEMBL5758764 0.85 CNR2 (0.48) PDE10AMAPTKMT2AKLKB1APEX1
SCHEMBL5758891 0.85 PDE10A (0.50) PDE10AKMT2AKLKB1ELANEAPEX1
SCHEMBL27624377 0.84 PDE10A (0.45) PDE10ARXFP1TP53LMNAMAPT

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