SCHEMBL10014033

SCHEMBL10014033

Cc1cc(O)c2ccc(NC(=O)Nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3)cc2c1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.84
SIRT1 Q96EB6 1/20 0.64
CASP6 P55212 3/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
NT5E P21589 1/20 0.55
NSD2 O96028 2/20 0.52
DUSP3 P51452 2/20 0.52
PTPN5 P54829 2/20 0.52
PTPN11 Q06124 2/20 0.52
ENPP2 Q13822 5/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CASP7 P55210 1/20 0.46
SNCA P37840 1/20 0.45

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
SCHEMBL6079067 0.92 PRMT1 (1.00) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL2679101 0.92 PRMT1 (1.00) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL29349608 0.92 PRMT1 (1.00) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL18134576 0.84 PRMT1 (0.84) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL11344652 0.84 PRMT1 (0.74) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL6078935 0.84 PRMT1 (0.78) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL3481043 0.83 PRMT1 (0.78) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL8416221 0.83 PRMT1 (0.83) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL11342001 0.83 PRMT1 (0.82) PRMT1SIRT1CASP6CTDSP1NT5E
SCHEMBL4117391 0.82 PRMT1 (0.76) 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
US-8175860-B2 Method of inhibiting the growth of Helicobacter pylori NATIONAL TSING HUA UNIVERSITY (TW) 2012-05-08 US disclosed