SCHEMBL10907618

SCHEMBL10907618

O=C(Nc1cccc(C(=O)Nc2c(O)ccc3cc(S(=O)(=O)O)ccc23)c1)C(=O)Nc1cccc(C(=O)Nc2c(O)ccc3cc(S(=O)(=O)O)ccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 3/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
NT5E P21589 1/20 0.46
PRMT1 Q99873 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
TIMP3 P35625 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
APEX1 P27695 1/20 0.44
NSD2 O96028 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
CASP7 P55210 1/20 0.43
PTPN11 Q06124 1/20 0.43

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
SCHEMBL11335555 0.93 PRMT1 (0.54) CASP6CTDSP1NT5EPRMT1MEN1
SCHEMBL10909529 0.92 KMT2A (0.46) CASP6CTDSP1NT5EPRMT1MEN1
SCHEMBL10907702 0.87 CASP6 (0.55) CASP6CTDSP1NT5EPRMT1HSD17B10
SCHEMBL11343753 0.85 KMT2A (0.53) PRMT1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL11433382 0.85 CASP6 (0.50) CASP6CTDSP1NT5EPRMT1HSD17B10
SCHEMBL10905175 0.85 NT5E (0.52) CASP6CTDSP1NT5EPRMT1MEN1
SCHEMBL10907660 0.84 CASP6 (0.60) CASP6CTDSP1NT5EPRMT1MEN1
SCHEMBL10907788 0.84 NT5E (0.62) CASP6CTDSP1NT5EPRMT1MEN1
SCHEMBL10907950 0.84 MEN1 (0.47) CASP6PRMT1MEN1KMT2AHSD17B10
SCHEMBL10909338 0.83 CASP6 (0.67) CASP6CTDSP1NT5EPRMT1MEN1

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