SCHEMBL3345503

SCHEMBL3345503

CCOC(=O)COc1ccc(Cl)c2[nH]c(=O)c(Cc3ccc(Cl)cc3)c(C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.42
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 4/20 0.37
KCNH2 Q12809 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 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
SCHEMBL3778704 0.91 LMNA (0.38) P2RX3ALDH1A1L3MBTL1TDP1MAPT
SCHEMBL3772138 0.83 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTNPSR1KDM4E
SCHEMBL3351461 0.82 ALDH1A1 (0.37) P2RX3ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL2576023 0.81 HPGD (0.35) ALDH1A1MAPTNPSR1KDM4EKMT2A
SCHEMBL3772935 0.81 TSHR (0.41) ALDH1A1L3MBTL1KDM4EHPGDHSD17B10
SCHEMBL2570555 0.80 ALDH1A1 (0.35) P2RX3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3777793 0.80 HPGD (0.39) P2RX3ALDH1A1TDP1MAPTKDM4E
SCHEMBL3345008 0.79 P2RX3 (0.43) P2RX3ALDH1A1L3MBTL1TDP1MAPT
SCHEMBL3770752 0.77 OPRK1 (0.35) P2RX3MAPTNPSR1LMNANPC1
SCHEMBL3779299 0.77 DAO (0.40) ALDH1A1MAPTKMT2AMEN1LMNA

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-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed