SCHEMBL2594705

SCHEMBL2594705

CN1C(=O)/C(=C/c2ccc(-c3ccccc3)s2)S/C1=N/c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 3/20 0.54
▸ MGAM O43451 2/20 0.54
▸ CA12 O43570 2/20 0.54
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ AURKA O14965 6/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ GAA P10253 1/20 0.48
▸ PSMB8 P28062 1/20 0.46
▸ S1PR4 O95977 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2594706 1.00 CA9 (0.54) CA9MGAMCA12CA1CA2
SCHEMBL2594707 1.00 CA9 (0.54) CA9MGAMCA12CA1CA2
SCHEMBL12177697 0.96 LMNA (0.55) CA9MGAMCA12CA1CA2
SCHEMBL12177167 0.92 TDP1 (0.60) CA9MGAMCA12CA1CA2
SCHEMBL12177707 0.90 MGAM (0.53) CA9MGAMCA12CA1CA2
SCHEMBL12177149 0.90 AURKA (0.53) CA9MGAMCA12CA1CA2
SCHEMBL12177159 0.87 ALDH1A1 (0.67) CA9MGAMCA12CA1CA2
SCHEMBL12177425 0.86 LMNA (0.56) CA9MGAMCA12CA1CA2
SCHEMBL12177528 0.84 ALDH1A1 (0.48) CA9MGAMCA12CA1CA2
SCHEMBL12177714 0.83 CA9 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 — — WO disclosed
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 — — WO disclosed
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