SCHEMBL3349038

SCHEMBL3349038

COC(=O)COc1c(Cl)ccc2c1c(C)c(Cc1ccc(Cl)cc1)c(=O)n2C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
TRPC5 Q9UL62 2/20 0.36
PPARG P37231 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
ALOX15 P16050 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA2A P29274 3/20 0.34
ADORA2B P29275 3/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
P2RX3 P56373 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3344735 0.90 PPARG (0.42) TRPC5PPARGKMT2AMEN1KDM4E
SCHEMBL3344740 0.82 ALDH1A1 (0.39) PTGS2TRPC5PPARGKMT2AMEN1
SCHEMBL3351508 0.79 PTGS2 (0.37) PTGS2KMT2AMEN1KDM4EMAPK1
SCHEMBL3344721 0.77 P2RX3 (0.42) PTGS2KDM4EMAPK1ALOX15ALDH1A1
SCHEMBL3346109 0.76 ALDH1A1 (0.44) KDM4EMAPK1ALDH1A1L3MBTL1P2RX3
SCHEMBL3345108 0.75 ALDH1A1 (0.43) PTGS2TRPC5KMT2AMEN1KDM4E
SCHEMBL3346140 0.75 PTGDR2 (0.38) PTGS2TRPC5KMT2AMEN1KDM4E
SCHEMBL3344729 0.74 DDB1 (0.41) TRPC5KMT2AMEN1KDM4EALDH1A1
SCHEMBL3345407 0.73 PLA2G2A (0.45) PPARGKDM4EALDH1A1
SCHEMBL3345008 0.73 P2RX3 (0.43) TRPC5KMT2AMEN1KDM4EALDH1A1

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