SCHEMBL14636718

SCHEMBL14636718

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

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLTC Q00610 13/20 0.78
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
UBE2N P61088 1/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
CASP3 P42574 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL14636004 0.89 CLTC (0.79) CLTCCA12CA1CA2CA9
SCHEMBL14636859 0.89 CLTC (0.77) CLTCHPGDCA12CA1CA2
SCHEMBL14636024 0.88 CLTC (0.79) CLTCCA12CA1CA2CA9
SCHEMBL14636868 0.88 CLTC (0.78) CLTCHPGDCA12CA1CA2
SCHEMBL14636558 0.85 CLTC (0.79) CLTCHPGDCA12CA1CA2
SCHEMBL14635611 0.84 CA12 (0.69) CLTCCA12CA1CA2CA9
SCHEMBL14636234 0.83 CLTC (0.78) CLTCUBE2NATMCA12CA1
SCHEMBL28737144 0.82 UBE2N (0.81) CLTCLMNAHPGDUBE2NATM
SCHEMBL14635627 0.78 CLTC (0.78) CLTCCA12CA1CA2CA9
SCHEMBL7848586 0.77 ERCC1 (0.62) CLTCHPGDCA12CA1CA2

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