SCHEMBL5334428

SCHEMBL5334428

CCOC(=O)c1cc(Cl)c2nc(-c3ccc(Cl)cc3)c(Br)n2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.48
GMNN O75496 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
BLM P54132 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SLC2A1 P11166 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GABRA2 P47869 4/20 0.46
GABRB2 P47870 4/20 0.46
AKT1 P31749 1/20 0.46
AKT2 P31751 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
ALPL P05186 1/20 0.44

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
SCHEMBL5357335 0.92 KDM4E (0.48) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL5341752 0.88 AKT1 (0.53) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL5343937 0.83 CDH1 (0.46) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL5352452 0.82 SLC2A1 (0.63) TSPOLMNASLC2A1CYP1A2CYP2C9
SCHEMBL5344445 0.82 AKT1 (0.66) SLC2A1CYP1A2CYP2C9CYP2C19GABRA2
SCHEMBL5343352 0.81 AKT1 (0.49) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL5342475 0.78 AKT1 (0.59) CYP3A4SLC2A1CYP1A2CYP2C9CYP2C19
SCHEMBL5339747 0.77 POLB (0.50) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL5341342 0.76 ALPL (0.49) POLBCYP3A4NPSR1CYP1A2CYP2C9
SCHEMBL5340780 0.76 AKT1 (0.59) SLC2A1CYP1A2CYP2C9CYP2C19GABRA2

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
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO disclosed