SCHEMBL3345008

SCHEMBL3345008

CCOC(=O)COc1ccc(Cl)c2c1c(C)c(Cc1ccc(Cl)cc1)c(=O)n2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.43
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36
TRPC5 Q9UL62 1/20 0.35
ADRB3 P13945 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
SCHEMBL3345372 0.90 TDP1 (0.44) P2RX3TSHRTDP1MAPTTRPC5
SCHEMBL3344721 0.82 P2RX3 (0.42) P2RX3ALDH1A1L3MBTL1GAAADORA2A
SCHEMBL3351438 0.81 TSHR (0.41) TSHRALDH1A1L3MBTL1GAAKDM4E
SCHEMBL3345051 0.81 P2RX3 (0.42) P2RX3TSHRTDP1MAPTTRPC5
SCHEMBL13423755 0.80 PTGDR2 (0.44) TSHRTDP1RORC
SCHEMBL3345503 0.79 P2RX3 (0.42) P2RX3POLBALDH1A1L3MBTL1TDP1
SCHEMBL3351455 0.77 PTGDR2 (0.43) RORC
SCHEMBL3345546 0.75 PTGDR2 (0.50) RORC
SCHEMBL3345407 0.75 PLA2G2A (0.45) ALDH1A1KDM4EHPGD
SCHEMBL3344740 0.73 ALDH1A1 (0.39) P2RX3TSHRALDH1A1L3MBTL1GAA

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