SCHEMBL12177573

SCHEMBL12177573

COc1cccc(-c2ccc(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ CA9 Q16790 3/20 0.57
▸ MGAM O43451 2/20 0.57
▸ CA12 O43570 2/20 0.57
▸ CA1 P00915 2/20 0.57
▸ CA2 P00918 2/20 0.57
▸ DUSP26 Q9BV47 1/20 0.51
▸ FAAH O00519 1/20 0.51
▸ DAPK3 O43293 1/20 0.51
▸ DYRK3 O43781 1/20 0.51
▸ PIM1 P11309 1/20 0.51
▸ CSNK2A1 P68400 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ PIM3 Q86V86 1/20 0.51
▸ HIPK2 Q9H2X6 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51
▸ CSNK1G1 Q9HCP0 1/20 0.51
▸ PIM2 Q9P1W9 1/20 0.51

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
SCHEMBL12177463 0.93 TDP1 (0.58) AURKALMNATDP1CA9MGAM
SCHEMBL12177688 0.90 CA9 (0.57) AURKALMNATDP1CA9MGAM
SCHEMBL12177682 0.89 CA9 (0.70) AURKALMNATDP1CA9MGAM
SCHEMBL12177712 0.88 AURKA (0.75) AURKALMNATDP1CA9MGAM
SCHEMBL12177483 0.87 TDP1 (0.51) AURKALMNATDP1CA9MGAM
SCHEMBL12177373 0.87 MGAM (0.61) AURKALMNATDP1CA9MGAM
SCHEMBL12177288 0.85 TDP1 (0.55) AURKALMNATDP1CA9MGAM
SCHEMBL12177693 0.84 TDP1 (0.50) AURKALMNATDP1CA9MGAM
SCHEMBL12177369 0.84 LMNA (0.62) AURKALMNATDP1DUSP26
SCHEMBL12177166 0.82 AURKA (0.70) AURKALMNATDP1CA9MGAM

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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