SCHEMBL10595679

SCHEMBL10595679

O=S(=O)(O)c1cc(S(=O)(=O)O)c2ccc3c(O)cc(O)c4ccc1c2c43.[Na].[Na]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 5/20 0.47
NT5E P21589 3/20 0.42
NSD2 O96028 3/20 0.42
DUSP3 P51452 2/20 0.42
PTPN5 P54829 2/20 0.42
CASP6 P55212 2/20 0.42
PTPN11 Q06124 2/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 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
SCHEMBL29440243 0.98 MPL (0.49) MPLNT5ENSD2DUSP3PTPN5
SCHEMBL4957991 0.98 MPL (0.49) MPLNT5ENSD2DUSP3PTPN5
SCHEMBL31344266 0.96 MPL (0.47) MPLNT5ENSD2DUSP3PTPN5
SCHEMBL15523070 0.96 MPL (0.47) MPLNT5ENSD2DUSP3PTPN5
SCHEMBL217202 0.96 MPL (0.47) MPLNT5ENSD2DUSP3PTPN5
SCHEMBL2776938 0.96 MPL (0.47) MPLNT5ENSD2DUSP3PTPN5
SCHEMBL590946 0.96 MPL (0.47) MPLNT5ENSD2DUSP3PTPN5
SCHEMBL29431679 0.94 MPL (0.49) MPLNT5ENSD2DUSP3PTPN5
SCHEMBL112192 0.94 MPL (0.49) MPLNT5ENSD2DUSP3PTPN5
SCHEMBL592364 0.92 MPL (0.47) MPLNT5ENSD2DUSP3PTPN5

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-4844841-A Pyrenexulfonic acids useful in fluorescent lipid probes KOLLER ERNST (AT) 1989-07-04 US disclosed