SCHEMBL3345142

SCHEMBL3345142

COC(=O)COc1cc(C)cc2c1c(C)c(Cc1ccc(F)cc1)c(=O)n2C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 1/20 0.41
JAK2 O60674 1/20 0.41
TSHR P16473 1/20 0.40
TRPC5 Q9UL62 2/20 0.39
PLA2G2A P14555 2/20 0.39
BRD4 O60885 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL3346049 0.90 PLA2G2A (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL3346109 0.87 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3344798 0.84 HPGD (0.43) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3344740 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3345055 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL3345108 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3346227 0.82 AKR1B1 (0.39) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL3345105 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL3349098 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL3344022 0.81 PLA2G1B (0.49) ALDH1A1KDM4EHPGDHSD17B10MAPT

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