SCHEMBL9017568

SCHEMBL9017568

O=S(=O)(O)c1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)c2ccccc12.[Na].[Na]

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.75
HIF1A Q16665 3/20 0.75
HPGD P15428 1/20 0.75
PTPN11 Q06124 3/20 0.66
PTPN7 P35236 2/20 0.66
ALOX15 P16050 2/20 0.66
HSD17B10 Q99714 2/20 0.66
PTPRC P08575 1/20 0.66
PTPN1 P18031 1/20 0.66
PTPN6 P29350 1/20 0.66
PTPRJ Q12913 1/20 0.66
DUSP26 Q9BV47 1/20 0.66
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
NSD2 O96028 1/20 0.62
POLB P06746 1/20 0.62
IDE P14735 1/20 0.62
DUSP3 P51452 1/20 0.62
CCR6 P51684 1/20 0.62
BLM P54132 1/20 0.62

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
SCHEMBL8072742 0.99 CYP1A2 (0.77) CYP1A2HIF1AHPGDPTPN11PTPN7
SCHEMBL13936089 0.92 CYP1A2 (0.73) CYP1A2HIF1AHPGDPTPN11PTPN7
SCHEMBL17552280 0.92 CYP1A2 (0.80) CYP1A2HIF1AHPGDPTPN11PTPN7
SCHEMBL13659315 0.86 CYP1A2 (1.00) CYP1A2HIF1AHPGDPTPN11PTPN7
SCHEMBL11753097 0.86 CYP1A2 (1.00) CYP1A2HIF1AHPGDPTPN11PTPN7
SCHEMBL9017566 0.86 THRB (0.73) CYP1A2HIF1AHPGDPTPN11PTPN7
SCHEMBL28442201 0.85 CYP1A2 (0.98) CYP1A2HIF1AHPGDPTPN11PTPN7
E122 SCHEMBL185360 0.85 CYP1A2 (0.76) CYP1A2HIF1AHPGDMEN1KMT2A
SCHEMBL13921616 0.84 CYP1A2 (0.80) CYP1A2HIF1AHPGDPTPN11PTPN7
SCHEMBL17550006 0.84 CYP1A2 (0.76) CYP1A2HIF1AHPGDPTPN11PTPN7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500668-A INK JET PRINTING XEROX CORPORATION (US) 1996-03-19 US claimed
US-5500668-A INK JET PRINTING XEROX CORPORATION (US) 1996-03-19 US disclosed