SCHEMBL5347759

SCHEMBL5347759

COc1ccc(-c2c(-c3ccc(Cl)cc3)nc3ccc(C(=O)O)cn23)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.52
AKT2 P31751 6/20 0.52
ALPG P10696 1/20 0.50
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSPO P30536 1/20 0.49
RAB9A P51151 2/20 0.47
DHODH Q02127 1/20 0.47
NR1I3 Q14994 1/20 0.46
SLC2A1 P11166 3/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.44
PTGDR2 Q9Y5Y4 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
SCHEMBL5348158 0.91 AKT1 (0.60) AKT1AKT2
SCHEMBL5320311 0.85 AKT1 (0.54) AKT1AKT2DHODHSLC2A1
SCHEMBL5333907 0.84 CNR1 (0.53) AKT1AKT2MAPTGAAKDM4E
SCHEMBL3498796 0.79 CYP1A2 (0.49) AKT1AKT2MAPTGAAALDH1A1
SCHEMBL3498373 0.79 CDH1 (0.50) AKT1AKT2MAPTGAAALDH1A1
SCHEMBL5340340 0.78 SLC2A1 (0.64) AKT1AKT2MAPTGAAKDM4E
SCHEMBL5341132 0.77 CDH1 (0.48) AKT1AKT2TSPODHODHSLC2A1
SCHEMBL27207554 0.76 GAA (0.54) ALPGMAPTGAAKDM4EALDH1A1
SCHEMBL5339197 0.76 CASP1 (0.49) AKT1AKT2KDM4EALDH1A1SMN1; SMN2
SCHEMBL5390922 0.76 GABRA2 (0.57) MAPTGAAKDM4EALDH1A1SMN1; SMN2

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