SCHEMBL12177783

SCHEMBL12177783

Cc1ccc(-c2cccc(/C=C3\S/C(=N/c4ccc(Cl)cc4)N(C)C3=O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 3/20 0.57
▸ CA12 O43570 3/20 0.57
▸ CA1 P00915 3/20 0.57
▸ CA2 P00918 3/20 0.57
▸ CA9 Q16790 3/20 0.57
▸ GAA P10253 1/20 0.51
▸ AURKA O14965 10/20 0.49
▸ LMNA P02545 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ AURKB Q96GD4 1/20 0.46
▸ INCENP Q9NQS7 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KEAP1 Q14145 1/20 0.45
▸ NFE2L2 Q16236 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
SCHEMBL12177509 0.96 CA9 (0.61) MGAMCA12CA1CA2CA9
SCHEMBL12177580 0.92 MGAM (0.60) MGAMCA12CA1CA2CA9
SCHEMBL12177755 0.91 AURKA (0.60) MGAMCA12CA1CA2CA9
SCHEMBL12177571 0.89 CA9 (0.69) MGAMCA12CA1CA2CA9
SCHEMBL12177732 0.89 MGAM (0.57) MGAMCA12CA1CA2CA9
SCHEMBL12177552 0.89 MGAM (0.57) MGAMCA12CA1CA2CA9
SCHEMBL12177724 0.88 ALDH1A1 (0.59) MGAMCA12CA1CA2CA9
SCHEMBL12177727 0.88 ALDH1A1 (0.59) MGAMCA12CA1CA2CA9
SCHEMBL12177714 0.85 CA9 (0.69) MGAMCA12CA1CA2CA9
SCHEMBL12177288 0.85 TDP1 (0.55) MGAMCA12CA1CA2CA9

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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