SCHEMBL7084809

SCHEMBL7084809

COC(OCc1ccccc1)c1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1CC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
P2RX3 P56373 1/20 0.30

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
SCHEMBL7078850 0.91 TDP1 (0.32) TDP1
SCHEMBL6968770 0.82 TDP1 (0.35) TDP1
SCHEMBL6969562 0.74 CCR2 (0.35)
SCHEMBL6970704 0.73
Acetamide SCHEMBL6959979 0.72 TDP1 (0.38) TDP1
SCHEMBL7084963 0.72 ALDH1A1 (0.34) TDP1
SCHEMBL14439829 0.72 VCP (0.36) TDP1
SCHEMBL8345067 0.72 RHEB (0.36) TDP1
SCHEMBL8115373 0.72
SCHEMBL6967638 0.72 TDP1 (0.39) TDP1P2RX3

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
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP claimed