SCHEMBL14636508

SCHEMBL14636508

Nc1c(S(=O)(=O)O)cc2c3c(cc(S(=O)(=O)O)cc13)C(=O)N(Cc1ccccc1)C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLTC Q00610 8/20 0.51
▸ CASP3 P42574 2/20 0.46
▸ CA12 O43570 3/20 0.46
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ RGS12 O14924 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.42

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
SCHEMBL14636449 0.87 CLTC (0.66) CLTCCASP3CA12CA1CA2
SCHEMBL21404284 0.81 CLTC (0.40) CLTCCA12CA1CA2CA9
SCHEMBL27404612 0.80 CLTC (0.39) CLTCCA12CA1CA2CA9
Ethylenediamine SCHEMBL21957845 0.80 CLTC (0.39) CLTCCA12CA1CA2CA9
SCHEMBL1615000 0.75 ALDH1A1 (0.39) CLTCALDH1A1GAAALOX15HSD17B10
SCHEMBL21946061 0.75 CLTC (0.36) CLTCALDH1A1HSD17B10CASP6
SCHEMBL14636024 0.74 CLTC (0.79) CLTCCA12CA1CA2CA9
SCHEMBL134056 0.73 CLTC (0.34) CLTCCA1CA2CA9MEN1
SCHEMBL16097930 0.73 ALDH1A1 (0.33) CLTCALDH1A1HSD17B10CASP6
SCHEMBL14636234 0.73 CLTC (0.78) 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
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