SCHEMBL5352452

SCHEMBL5352452

CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(Br)n2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.63
CYP1A2 P05177 3/20 0.59
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 3/20 0.59
SLC2A2 P11168 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
AKT1 P31749 1/20 0.50
AKT2 P31751 1/20 0.50
ALDH1A1 P00352 3/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
NR1I2 O75469 1/20 0.47

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
SCHEMBL5340340 0.87 SLC2A1 (0.64) SLC2A1CYP1A2CYP2C9CYP2C19SLC2A2
SCHEMBL5341345 0.87 SLC2A1 (0.59) SLC2A1CYP1A2CYP2C9CYP2C19SLC2A2
SCHEMBL5346688 0.87 SLC2A1 (0.59) SLC2A1CYP1A2CYP2C9CYP2C19SLC2A2
SCHEMBL5334428 0.82 TSPO (0.48) SLC2A1CYP1A2CYP2C9CYP2C19AKT1
SCHEMBL5341132 0.82 CDH1 (0.48) SLC2A1CYP1A2CYP2C9CYP2C19SLC2A2
SCHEMBL5343483 0.81 CYP1A2 (0.59) SLC2A1CYP1A2CYP2C9CYP2C19SLC2A2
SCHEMBL17718933 0.78 SLC2A1 (1.00) SLC2A1KDM4E
SCHEMBL3499455 0.76 SLC2A1 (0.52) SLC2A1CYP1A2CYP2C9CYP2C19SLC2A2
SCHEMBL31066484 0.76 CYP1A2 (0.57) SLC2A1CYP1A2CYP2C9CYP2C19SLC2A2
SCHEMBL3500247 0.75 NPC1 (0.56) SLC2A1NPC1RAB9AALDH1A1GAA

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