SCHEMBL5357335

SCHEMBL5357335

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
LMNA P02545 2/20 0.48
AKT1 P31749 2/20 0.45
AKT2 P31751 2/20 0.45
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
CHRNA7 P36544 1/20 0.42
ALOX5 P09917 1/20 0.42
GRM5 P41594 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.41

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
SCHEMBL5334428 0.92 TSPO (0.48) LMNAAKT1AKT2GABRA2GABRB2
SCHEMBL5337099 0.82 SMN1; SMN2 (0.44) KDM4EHPGDLMNAAKT1AKT2
SCHEMBL5341752 0.80 AKT1 (0.53) LMNAAKT1AKT2GABRA2GABRB2
SCHEMBL5346366 0.78 NPC1 (0.53) KDM4EALDH1A1HPGDLMNAGABRA2
SCHEMBL5352452 0.74 SLC2A1 (0.63) KDM4EALDH1A1HPGDLMNAAKT1
SCHEMBL5343937 0.74 CDH1 (0.46) LMNAAKT1AKT2NPSR1CYP3A4
SCHEMBL5344445 0.74 AKT1 (0.66) AKT1AKT2GABRA2GABRB2CHRNA7
SCHEMBL5343352 0.73 AKT1 (0.49) KDM4EALDH1A1HPGDLMNAAKT1
SCHEMBL9911936 0.72 CYP1A2 (0.57) KDM4EALDH1A1HPGDLMNAGABRA2
SCHEMBL12940160 0.72 NPC1 (0.54) KDM4EALDH1A1HPGDLMNAGABRA2

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