SCHEMBL12177404

SCHEMBL12177404

CN1C(=O)/C(=C/c2cc(-c3ccc(Cl)cc3)cs2)S/C1=N/c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.55
▸ LMNA P02545 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ CA9 Q16790 3/20 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
▸ ALDH1A1 P00352 2/20 0.50
▸ PSMB8 P28062 1/20 0.50
▸ S1PR4 O95977 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ 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
SCHEMBL12177126 0.96 MGAM (0.54) AURKALMNATDP1CA9MGAM
SCHEMBL12177776 0.90 TDP1 (0.56) AURKALMNATDP1CA9MGAM
SCHEMBL12177123 0.89 ALDH1A1 (0.64) AURKALMNATDP1CA9MGAM
SCHEMBL12177542 0.89 ALDH1A1 (0.64) AURKALMNATDP1CA9MGAM
SCHEMBL12177138 0.86 ALDH1A1 (0.53) AURKALMNATDP1CA9MGAM
SCHEMBL12177714 0.83 CA9 (0.69) AURKALMNATDP1CA9MGAM
SCHEMBL12177522 0.83 ALDH1A1 (0.50) AURKALMNATDP1CA9MGAM
SCHEMBL12177697 0.83 LMNA (0.55) AURKALMNATDP1CA9MGAM
SCHEMBL12177483 0.81 TDP1 (0.51) AURKALMNATDP1CA9MGAM
SCHEMBL12177509 0.79 CA9 (0.61) 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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