SCHEMBL10823539

SCHEMBL10823539

Cc1cc(S(=O)(=O)Nc2cc(O)c3ccc(S(=O)(=O)O)cc3c2)ccc1NC(=O)Nc1ccc(S(=O)(=O)Nc2cc(O)c3ccc(S(=O)(=O)O)cc3c2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.57
▸ SIRT1 Q96EB6 1/20 0.49
▸ CASP6 P55212 3/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ NSD2 O96028 1/20 0.42
▸ DUSP3 P51452 1/20 0.42
▸ PTPN5 P54829 1/20 0.42
▸ PTPN11 Q06124 1/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ IDH1 O75874 1/20 0.41
▸ NT5E P21589 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ IDH2 P48735 1/20 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
SCHEMBL10823757 0.94 PRMT1 (0.62) PRMT1SIRT1CASP6CTDSP1NSD2
SCHEMBL10823369 0.92 NT5E (0.47) PRMT1SIRT1CASP6NSD2DUSP3
SCHEMBL10823506 0.84 PRMT1 (0.45) PRMT1SIRT1CASP6CA12CA1
SCHEMBL10823390 0.84 HKDC1 (0.46) PRMT1CASP6CA12CA1CA2
SCHEMBL10823609 0.83 PRMT1 (0.73) PRMT1SIRT1CASP6CTDSP1NSD2
SCHEMBL11344912 0.83 CASP6 (0.56) PRMT1SIRT1CASP6CTDSP1NSD2
SCHEMBL10823437 0.83 CASP6 (0.44) PRMT1CASP6NT5EMEN1MAPT
SCHEMBL10823779 0.82 EP300 (0.49) PRMT1CA12CA1CA2CA9
SCHEMBL10823345 0.82 PRMT1 (0.67) PRMT1SIRT1CASP6CTDSP1CA12
SCHEMBL10823349 0.82 IDH1 (0.43) CA12CA1CA2CA9IDH1

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-H83-H Dental antiplaque agents and inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1986-07-01 — — US disclosed
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