SCHEMBL3984932

SCHEMBL3984932

O=C(O)COc1ccnc2ccc(Cc3ccc(Cl)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.45
KDM4C Q9H3R0 1/20 0.44
MAPT P10636 1/20 0.43
PTGDR2 Q9Y5Y4 9/20 0.41
KDM4E B2RXH2 4/20 0.41
PTGDR Q13258 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
PPARG P37231 1/20 0.40
CASP7 P55210 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
AKR1B1 P15121 1/20 0.39
PRNP P04156 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL3983777 0.80 TDP1 (0.55) TDP1TSHRMAPTPTGDR2PTGDR
SCHEMBL9799138 0.77 TDP1 (0.50) TDP1TSHRMAPTPTGDR2KDM4E
SCHEMBL3989100 0.77 THRB (0.46) TDP1TSHRKDM4CMAPTPTGDR2
SCHEMBL28659540 0.76 PKM (0.54) TDP1PTGDR2KDM4EALDH1A1HPGD
SCHEMBL29878298 0.76 PKM (0.54) TDP1PTGDR2KDM4EALDH1A1HPGD
SCHEMBL28670159 0.74 LMNA (0.62) PTGDR2KDM4EALDH1A1HPGDNPSR1
SCHEMBL29878581 0.74 LMNA (0.62) PTGDR2KDM4EALDH1A1HPGDNPSR1
SCHEMBL3778473 0.73 PTGDR2 (0.45) TDP1TSHRMAPTPTGDR2KDM4E
SCHEMBL3986256 0.72 TDP1 (0.43) TDP1TSHRMAPTPTGDR2KDM4E
SCHEMBL2112736 0.72 KDM4E (0.58) TDP1PTGDR2KDM4EALDH1A1HPGD

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