SCHEMBL12177697

SCHEMBL12177697

CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)s2)S/C1=N/c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ AURKA O14965 2/20 0.55
▸ CA9 Q16790 4/20 0.52
▸ MGAM O43451 2/20 0.52
▸ CA12 O43570 2/20 0.52
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ PSMB8 P28062 1/20 0.50
▸ GAA P10253 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ S1PR4 O95977 1/20 0.46
▸ ITGB3 P05106 1/20 0.45
▸ ITGAV P06756 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ RECQL P46063 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
SCHEMBL2594705 0.96 CA9 (0.54) LMNATDP1AURKACA9MGAM
SCHEMBL2594706 0.96 CA9 (0.54) LMNATDP1AURKACA9MGAM
SCHEMBL2594707 0.96 CA9 (0.54) LMNATDP1AURKACA9MGAM
SCHEMBL12177167 0.92 TDP1 (0.60) LMNATDP1AURKACA9MGAM
SCHEMBL12177707 0.90 MGAM (0.53) LMNATDP1AURKACA9MGAM
SCHEMBL12177425 0.90 LMNA (0.56) LMNATDP1AURKACA9MGAM
SCHEMBL12177149 0.86 AURKA (0.53) LMNATDP1AURKACA9MGAM
SCHEMBL12177528 0.84 ALDH1A1 (0.48) LMNATDP1AURKACA9MGAM
SCHEMBL12177159 0.83 ALDH1A1 (0.67) LMNATDP1AURKACA9MGAM
SCHEMBL12177404 0.83 AURKA (0.55) LMNATDP1AURKACA9MGAM

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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