SCHEMBL3984196

SCHEMBL3984196

CCOC(=O)COc1ncc(Cl)c2ccc(Cc3ccc(Cl)cc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
OPRK1 P41145 1/20 0.39
P2RX3 P56373 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALOX5 P09917 1/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TNF P01375 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL3986256 0.85 TDP1 (0.43) MAPTHTTKDM4ETDP1
SCHEMBL3985274 0.81 PTGDR2 (0.43) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3986249 0.81 HTT (0.40) MAPTHTTKDM4EALDH1A1MEN1
SCHEMBL11460802 0.75 NPSR1 (0.57) MAPTHTTPOLBOPRK1P2RX3
SCHEMBL5494773 0.71 KDM4E (0.45) MAPTHTTKDM4EALDH1A1MEN1
SCHEMBL3979381 0.70 LMNA (0.48) MAPTHTTKDM4EALDH1A1MEN1
SCHEMBL3983780 0.68 THRB (0.46) HTTKDM4ETDP1ALOX5
SCHEMBL11608387 0.68 KDM4E (0.42) MAPTHTTKDM4EALDH1A1MEN1
SCHEMBL5207122 0.68 GAA (0.66) MAPTKDM4EALDH1A1POLBP2RX3
SCHEMBL11880114 0.67 KDM4E (0.53) MAPTKDM4EALDH1A1MEN1KMT2A

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