SCHEMBL11427766

SCHEMBL11427766

Nc1ccc(C(=O)Nc2cccc3cc(S(=O)(=O)O)cc(O)c23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.65
CASP6 P55212 3/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
ENPP2 Q13822 2/20 0.49
HDAC1 Q13547 1/20 0.45
NT5E P21589 3/20 0.45
NSD2 O96028 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CD40 P25942 2/20 0.42
CD40LG P29965 2/20 0.42
TIMP3 P35625 2/20 0.42
FGF1 P05230 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL11426318 0.91 APEX1 (0.65) APEX1CASP6CTDSP1ENPP2HDAC1
SCHEMBL26887682 0.90 APEX1 (0.67) APEX1CASP6CTDSP1ENPP2HDAC1
SCHEMBL11440872 0.89 APEX1 (0.63) APEX1CASP6CTDSP1ENPP2HDAC1
SCHEMBL13619183 0.89 APEX1 (0.81) APEX1CASP6CTDSP1ENPP2HDAC1
SCHEMBL11589917 0.89 APEX1 (0.77) APEX1CASP6CTDSP1ENPP2HDAC1
SCHEMBL6560534 0.89 APEX1 (0.77) APEX1CASP6CTDSP1ENPP2HDAC1
SCHEMBL10904451 0.88 APEX1 (0.79) APEX1CASP6CTDSP1ENPP2HDAC1
SCHEMBL11351805 0.87 APEX1 (0.63) APEX1CASP6CTDSP1ENPP2NSD2
SCHEMBL10908350 0.87 APEX1 (0.63) APEX1CASP6CTDSP1ENPP2NT5E
SCHEMBL26887683 0.86 APEX1 (0.65) APEX1CASP6CTDSP1ENPP2HDAC1

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
US-4216165-A Amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed