Sugi Predict

Sugi Predict / Compounds / SCHEMBL14636004

SCHEMBL14636004

SCHEMBL14636004

O=C1c2cccc3cc(S(=O)(=O)O)cc(c23)C(=O)N1Cc1ccc(O)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CLTC Q00610 13/20 0.79
▸ CA12 O43570 2/20 0.57
▸ CA1 P00915 2/20 0.57
▸ CA2 P00918 2/20 0.57
▸ CA9 Q16790 2/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.49
▸ PARG Q86W56 1/20 0.47
▸ CYP1B1 Q16678 2/20 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
SCHEMBL14636859 0.91 CLTC (0.77) CLTCCA12CA1CA2CA9
SCHEMBL14636718 0.89 CLTC (0.78) CLTCCA12CA1CA2CA9
SCHEMBL14636868 0.89 CLTC (0.78) CLTCCA12CA1CA2CA9
SCHEMBL14636024 0.89 CLTC (0.79) CLTCCA12CA1CA2CA9
SCHEMBL14636558 0.86 CLTC (0.79) CLTCCA12CA1CA2CA9
SCHEMBL14635611 0.85 CA12 (0.69) CLTCCA12CA1CA2CA9
SCHEMBL14636234 0.84 CLTC (0.78) CLTCCA12CA1CA2CA9
SCHEMBL14635627 0.79 CLTC (0.78) CLTCCA12CA1CA2CA9
SCHEMBL7848586 0.78 ERCC1 (0.62) CLTCCA12CA1CA2CA9
SCHEMBL29483205 0.77 CLTC (0.98) CLTCCA12CA1CA2CA9

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-2013010218-A9 INHIBITION OF CLATHRIN FREIE UNIVERSITÄT BERLIN (DE) 2013-03-28 — — WO disclosed
WO-2013010218-A1 INHIBITION OF CLATHRIN FREIE UNIVERSITÄT BERLIN (DE) 2013-01-24 — — WO disclosed