SCHEMBL3985579

SCHEMBL3985579

COC(=O)COc1cccc2cnc(Cc3ccc(Cl)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGS2 P35354 1/20 0.41
PDE10A Q9Y233 7/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3982744 0.88 TDP1 (0.44) LMNASMN1; SMN2GAAL3MBTL1PDE10A
SCHEMBL3984193 0.84 MAPT (0.50) LMNASMN1; SMN2GAAL3MBTL1PDE10A
SCHEMBL3980996 0.82 PTGDR2 (0.39) LMNAL3MBTL1PTGS2MAPTTSHR
SCHEMBL3984415 0.75 HTR2C (0.43) LMNASMN1; SMN2GAAL3MBTL1MAPT
SCHEMBL3981435 0.72 PKM (0.46) LMNASMN1; SMN2PTGS2PDE10AMAPT
SCHEMBL3777437 0.72 PLA2G2A (0.47) LMNASMN1; SMN2L3MBTL1MAPTTDP1
SCHEMBL3983651 0.70 PTGDR2 (0.43) MAPTTSHRTDP1PTGDR2
SCHEMBL19603072 0.70 MAPT (0.46) LMNASMN1; SMN2L3MBTL1PDE10AMAPT
SCHEMBL3989567 0.69 LMNA (0.41) LMNASMN1; SMN2GAAL3MBTL1PTGS2
SCHEMBL15517314 0.68 LMNA (0.53) LMNASMN1; SMN2L3MBTL1PTGS2MAPT

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-2009060209-A1 6,6-FUSED BICYCLIC AROMATIC COMPOUNDS AND THEIR THERAPEUTI USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 WO disclosed