SCHEMBL12177776

SCHEMBL12177776

Cc1ccc(-c2csc(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ AURKA O14965 3/20 0.56
▸ S1PR4 O95977 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.51
▸ PSMB8 P28062 1/20 0.51
▸ MAPT P10636 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.50
▸ CA9 Q16790 2/20 0.49
▸ MGAM O43451 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ POLB P06746 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL12177138 0.96 ALDH1A1 (0.53) TDP1LMNAAURKAS1PR4ALDH1A1
SCHEMBL12177404 0.90 AURKA (0.55) TDP1LMNAAURKAS1PR4ALDH1A1
SCHEMBL12177166 0.86 AURKA (0.70) TDP1LMNAAURKAALDH1A1PSMB8
SCHEMBL12177126 0.86 MGAM (0.54) TDP1LMNAAURKAS1PR4ALDH1A1
SCHEMBL12177755 0.83 AURKA (0.60) TDP1LMNAAURKAS1PR4ALDH1A1
SCHEMBL12177685 0.83 AURKA (0.65) TDP1LMNAAURKAALDH1A1MAPT
SCHEMBL12177425 0.82 LMNA (0.56) TDP1LMNAAURKAS1PR4ALDH1A1
SCHEMBL12177483 0.82 TDP1 (0.51) TDP1LMNAAURKAS1PR4ALDH1A1
SCHEMBL12177580 0.80 MGAM (0.60) TDP1LMNAAURKAS1PR4ALDH1A1
SCHEMBL12177712 0.80 AURKA (0.75) TDP1LMNAAURKAPSMB8SMN1; SMN2

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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