SCHEMBL12177483

SCHEMBL12177483

COc1cccc(-c2csc(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ AURKA O14965 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ ITGB3 P05106 1/20 0.49
▸ ITGAV P06756 1/20 0.49
▸ MGAM O43451 2/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RECQL P46063 1/20 0.46

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
SCHEMBL12177516 0.94 ALDH1A1 (0.57) TDP1LMNAAURKAALDH1A1POLB
SCHEMBL12177522 0.91 ALDH1A1 (0.50) TDP1LMNAAURKAALDH1A1POLB
SCHEMBL12177449 0.91 ALDH1A1 (0.61) TDP1LMNAALDH1A1POLBMAPT
SCHEMBL12177463 0.88 TDP1 (0.58) TDP1LMNAAURKAALDH1A1POLB
SCHEMBL12177573 0.87 AURKA (0.60) TDP1LMNAAURKAMGAMCA12
SCHEMBL12177693 0.85 TDP1 (0.50) TDP1LMNAAURKAALDH1A1POLB
SCHEMBL12177776 0.82 TDP1 (0.56) TDP1LMNAAURKAALDH1A1POLB
SCHEMBL12177138 0.82 ALDH1A1 (0.53) TDP1LMNAAURKAALDH1A1POLB
SCHEMBL12177373 0.82 MGAM (0.61) TDP1LMNAAURKAALDH1A1POLB
SCHEMBL12177545 0.82 PSMB8 (0.66) TDP1LMNAAURKAALDH1A1POLB

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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