SCHEMBL6429672

SCHEMBL6429672

O=C(Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)cc(S(=O)(=O)Nc3ccc(Cl)c(S(=O)(=O)O)c3)cc2c1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.68
SIRT1 Q96EB6 1/20 0.53
CASP6 P55212 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
NT5E P21589 1/20 0.49
ENPP2 Q13822 1/20 0.43
NSD2 O96028 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
IDH1 O75874 1/20 0.43
CD40 P25942 1/20 0.42
CD40LG P29965 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
SCHEMBL6078681 0.98 PRMT1 (0.64) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL6427772 0.84 IDH1 (0.48) PRMT1IDH1
SCHEMBL6078800 0.84 PRMT1 (0.74) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL10823628 0.84 PRMT1 (0.78) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL6078726 0.83 PRMT1 (0.72) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL6079153 0.83 PRMT1 (0.72) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL10823776 0.83 PRMT1 (0.71) PRMT1SIRT1CASP6CTDSP1IDH1
SCHEMBL6079555 0.83 PRMT1 (0.57) PRMT1SIRT1
SCHEMBL2679101 0.82 PRMT1 (1.00) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL29349608 0.82 PRMT1 (1.00) PRMT1SIRT1CASP6CTDSP1NT5E

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
EP-1181271-B1 NAPHTHALENE UREAS AS GLUCOSE UPTAKE ENHANCERS TELIK INC (US) 2005-01-19 EP disclosed