SCHEMBL5317449

SCHEMBL5317449

CCc1cnc(-c2cnc(Cl)c(Cl)c2)o1.CCc1cnc(-c2cnc(Cl)c(Cl)c2C=O)o1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL4105192 0.90 P2RY12 (0.31)
SCHEMBL4001854 0.83 ALDH1A1 (0.40) ALDH1A1NPSR1KDM4EHPGDLMNA
SCHEMBL4103363 0.73 P2RY12 (0.31)
SCHEMBL4112561 0.71 PDXK (0.35)
SCHEMBL4099671 0.70
SCHEMBL16000815 0.66 NOTUM (0.46) ALDH1A1NPSR1KDM4EHPGDLMNA
SCHEMBL30540779 0.65 ALDH1A1 (0.39) ALDH1A1NPSR1
SCHEMBL7052545 0.65 ALDH1A1 (0.39) ALDH1A1NPSR1
SCHEMBL27697969 0.64 NPC1 (0.49) ALDH1A1KDM4EHPGD
SCHEMBL4103027 0.64 P2RY12 (0.42) POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed