SCHEMBL3351515

SCHEMBL3351515

COC(=O)COc1cc(C)cc2[nH]c(=O)c(Cc3ccc4cc(F)ccc4n3)c(C)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 3/20 0.44
PDE10A Q9Y233 3/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.36
PTGIR P43119 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
GAA P10253 1/20 0.33
PDE3B Q13370 4/20 0.33
PDE3A Q14432 4/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
P2RY12 Q9H244 3/20 0.33
CASP3 P42574 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL3347965 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL3345055 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL3343713 0.82 PDE10A (0.41) ALDH1A1KDM4EHSD17B10PDE10ATSHR
SCHEMBL3345090 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL3346540 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL3351444 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3348773 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3345145 0.73 PTGDR2 (0.41) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL3346093 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL3345539 0.70 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10TSHR

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