SCHEMBL3989567

SCHEMBL3989567

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
PKM P14618 2/20 0.40
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 2/20 0.38
PDE10A Q9Y233 1/20 0.37
PTGS2 P35354 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.37
P2RX3 P56373 1/20 0.37
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL3985312 0.90 TDP1 (0.47) KDM4EALDH1A1HPGDPKMPTGDR
SCHEMBL3984323 0.85 LMNA (0.43) LMNAKDM4EALDH1A1HPGDMAPK1
SCHEMBL3985878 0.84 PTGDR (0.51) LMNAKDM4EALDH1A1HPGDPKM
SCHEMBL3981435 0.81 PKM (0.46) LMNAKDM4EALDH1A1PKMPTGDR
SCHEMBL3778420 0.78 KDM4E (0.43) LMNAKDM4EALDH1A1HPGDMAPK1
SCHEMBL3981440 0.78 MEN1 (0.38) HPGDKMT2AMAPTHIF1APARP1
SCHEMBL3779603 0.76 KDM4E (0.39) LMNAKDM4EALDH1A1HPGDPKM
SCHEMBL3979381 0.76 LMNA (0.48) LMNAKDM4EALDH1A1HPGDMAPK1
SCHEMBL3980996 0.74 PTGDR2 (0.39) LMNAKDM4EALDH1A1MAPK1PKM
SCHEMBL3989929 0.73 KDM4E (0.52) LMNAKDM4EALDH1A1HPGDMAPK1

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