SCHEMBL3985312

SCHEMBL3985312

CCc1cc2c(Cl)ccc(OCC(=O)O)c2nc1Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.43
PPARD Q03181 4/20 0.41
PTGDR2 Q9Y5Y4 7/20 0.40
PTGDR Q13258 1/20 0.40
PKM P14618 1/20 0.39
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C19 P33261 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
SCHEMBL3989567 0.90 LMNA (0.41) TDP1TSHRMAPTPTGDR2PTGDR
SCHEMBL3984323 0.84 LMNA (0.43) TSHRMAPTPDE10AKDM4EALDH1A1
SCHEMBL3989062 0.82 PTGDR2 (0.49) TDP1TSHRMAPTPPARDPTGDR2
SCHEMBL3981440 0.79 MEN1 (0.38) MAPTHPGDHSD17B10
SCHEMBL3988279 0.79 TDP1 (0.47) TDP1TSHRMAPTPPARDPTGDR2
SCHEMBL3771025 0.77 TDP1 (0.48) TDP1TSHRMAPTPPARDPTGDR2
SCHEMBL3782778 0.75 PTGDR2 (0.46) TDP1TSHRMAPTPPARDPTGDR2
SCHEMBL3985878 0.74 PTGDR (0.51) TDP1TSHRMAPTPTGDR2PTGDR
SCHEMBL3983777 0.73 TDP1 (0.55) TDP1TSHRMAPTPPARDPTGDR2
SCHEMBL342560 0.73 KDM4E (0.47) TDP1TSHRMAPTPPARDPKM

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