SCHEMBL12177714

SCHEMBL12177714

CN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)S/C1=N/c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 6/20 0.69
▸ MGAM O43451 5/20 0.69
▸ CA12 O43570 5/20 0.69
▸ CA1 P00915 5/20 0.69
▸ CA2 P00918 5/20 0.69
▸ AURKA O14965 7/20 0.64
▸ LMNA P02545 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ GAA P10253 1/20 0.64
▸ CISD1 Q9NZ45 2/20 0.53
▸ MAOB P27338 1/20 0.53

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
SCHEMBL12177712 0.92 AURKA (0.75) CA9MGAMCA12CA1CA2
SCHEMBL12177571 0.91 CA9 (0.69) CA9MGAMCA12CA1CA2
SCHEMBL12177685 0.89 AURKA (0.65) CA9MGAMCA12CA1CA2
SCHEMBL12177509 0.89 CA9 (0.61) CA9MGAMCA12CA1CA2
SCHEMBL12177682 0.86 CA9 (0.70) CA9MGAMCA12CA1CA2
SCHEMBL12177166 0.86 AURKA (0.70) CA9MGAMCA12CA1CA2
SCHEMBL12177126 0.85 MGAM (0.54) CA9MGAMCA12CA1CA2
SCHEMBL12177783 0.85 MGAM (0.57) CA9MGAMCA12CA1CA2
SCHEMBL2594707 0.83 CA9 (0.54) CA9MGAMCA12CA1CA2
SCHEMBL12177404 0.83 AURKA (0.55) CA9MGAMCA12CA1CA2

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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