SCHEMBL10907433

SCHEMBL10907433

O=C(Nc1ccc(C(=O)Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2)cc1)C(=O)Nc1ccc(C(=O)Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 3/20 0.80
CTDSP1 Q9GZU7 1/20 0.80
PRMT1 Q99873 2/20 0.69
NT5E P21589 1/20 0.54
ENPP2 Q13822 3/20 0.54
SIRT1 Q96EB6 1/20 0.52
NSD2 O96028 2/20 0.51
DUSP3 P51452 2/20 0.51
PTPN5 P54829 2/20 0.51
PTPN11 Q06124 2/20 0.51
APEX1 P27695 1/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
TIMP3 P35625 2/20 0.46
CASP7 P55210 1/20 0.45
FGF1 P05230 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL10905524 0.94 CASP6 (0.70) CASP6CTDSP1PRMT1NT5EENPP2
SCHEMBL11342001 0.92 PRMT1 (0.82) CASP6CTDSP1PRMT1NT5EENPP2
SCHEMBL10905567 0.91 CASP6 (0.67) CASP6CTDSP1PRMT1NT5EENPP2
SCHEMBL27648929 0.91 CASP6 (0.81) CASP6CTDSP1PRMT1NT5EENPP2
SCHEMBL8416221 0.91 PRMT1 (0.83) CASP6CTDSP1PRMT1NT5EENPP2
SCHEMBL30646175 0.90 CASP6 (0.98) CASP6CTDSP1PRMT1NT5EENPP2
SCHEMBL14413308 0.90 CASP6 (0.98) CASP6CTDSP1PRMT1NT5EENPP2
SCHEMBL10909338 0.89 CASP6 (0.67) CASP6CTDSP1PRMT1NT5EENPP2
SCHEMBL29495050 0.89 CASP6 (1.00) CASP6CTDSP1PRMT1NT5EENPP2
SCHEMBL7890022 0.89 CASP6 (0.78) CASP6CTDSP1PRMT1NT5EENPP2

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-4599204-A Oxalylamides useful as dental antiplaque agents and inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1986-07-08 US disclosed