SCHEMBL12177463

SCHEMBL12177463

COc1cccc(-c2cccc(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.58
▸ AURKA O14965 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ DAPK3 O43293 1/20 0.57
▸ DYRK3 O43781 1/20 0.57
▸ PIM1 P11309 1/20 0.57
▸ CSNK2A1 P68400 1/20 0.57
▸ DYRK1A Q13627 1/20 0.57
▸ PIM3 Q86V86 1/20 0.57
▸ HIPK2 Q9H2X6 1/20 0.57
▸ CLK4 Q9HAZ1 1/20 0.57
▸ CSNK1G1 Q9HCP0 1/20 0.57
▸ PIM2 Q9P1W9 1/20 0.57
▸ MGAM O43451 2/20 0.54
▸ CA12 O43570 2/20 0.54
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ S1PR1 P21453 1/20 0.53
▸ S1PR3 Q99500 1/20 0.53

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
SCHEMBL12177373 0.94 MGAM (0.61) TDP1AURKALMNADAPK3DYRK3
SCHEMBL12177688 0.93 CA9 (0.57) TDP1AURKALMNADAPK3DYRK3
SCHEMBL12177573 0.93 AURKA (0.60) TDP1AURKALMNADAPK3DYRK3
SCHEMBL12177288 0.92 TDP1 (0.55) TDP1AURKALMNADAPK3DYRK3
SCHEMBL12177483 0.88 TDP1 (0.51) TDP1AURKALMNADAPK3DYRK3
SCHEMBL12177755 0.85 AURKA (0.60) TDP1AURKALMNAMGAMCA12
SCHEMBL12177727 0.85 ALDH1A1 (0.59) TDP1AURKALMNAMGAMCA12
SCHEMBL12177693 0.85 TDP1 (0.50) TDP1AURKALMNAMGAMCA12
SCHEMBL12177724 0.85 ALDH1A1 (0.59) TDP1AURKALMNAMGAMCA12
SCHEMBL12177391 0.84 PTPN2 (0.57) TDP1LMNAMGAMCA12CA1

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-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 — — WO disclosed
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