SCHEMBL3345372

SCHEMBL3345372

Cc1c(Cc2ccc(Cl)cc2)c(=O)n(C)c2c(Cl)ccc(OCC(=O)O)c12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
RORC P51449 1/20 0.43
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
P2RX3 P56373 2/20 0.38
WDR5 P61964 1/20 0.38
MAPT P10636 1/20 0.38
TRPC5 Q9UL62 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
PTGDR2 Q9Y5Y4 5/20 0.37
LMNA P02545 2/20 0.37
RXFP1 Q9HBX9 1/20 0.36
CYP2C19 P33261 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
SCHEMBL3345051 0.91 P2RX3 (0.42) TDP1TSHRRORCPPARGPPARD
SCHEMBL3345008 0.90 P2RX3 (0.43) TDP1TSHRRORCP2RX3MAPT
SCHEMBL13423755 0.89 PTGDR2 (0.44) TDP1TSHRRORCPTGDR2
SCHEMBL3345546 0.84 PTGDR2 (0.50) RORCPTGDR2
SCHEMBL3345407 0.84 PLA2G2A (0.45) PPARGPTGDR2
SCHEMBL3345067 0.82 PPARG (0.42) TDP1TSHRRORCPPARGPPARD
SCHEMBL3344735 0.82 PPARG (0.42) TDP1TSHRRORCPPARGPPARD
SCHEMBL3344721 0.82 P2RX3 (0.42) P2RX3MAPTPTGDR2LMNA
SCHEMBL3345066 0.81 TDP1 (0.43) TDP1TSHRRORCPPARGPPARD
SCHEMBL3351438 0.81 TSHR (0.41) TSHRRORCPTGDR2LMNA

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