SCHEMBL3422255

SCHEMBL3422255

O=S1(=O)OC(c2ccc(O)c(O)c2O)(c2ccc(O)c(O)c2O)c2ccccc21.[NaH]

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.76
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
KMT2A Q03164 1/20 0.59
HIF1A Q16665 1/20 0.59
CDK2 P24941 1/20 0.53
GNG2 P59768 1/20 0.38
GNB1 P62873 1/20 0.38
SMAD3 P84022 1/20 0.30

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
SCHEMBL3398015 0.98 PTPN11 (0.78) PTPN11ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL14111955 0.87 PTPN11 (1.00) PTPN11ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL30439544 0.87 PTPN11 (1.00) PTPN11ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL16285462 0.80 MEN1 (0.66) PTPN11ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL4634262 0.80 TDP1 (0.65) PTPN11ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL151728 0.79 PTPN11 (0.80) PTPN11ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL410463 0.78 TDP1 (0.67) PTPN11ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL29436705 0.77 MEN1 (0.70) PTPN11ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL152384 0.77 MEN1 (0.70) PTPN11ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL4011093 0.76 CDK2 (0.61) PTPN11ALDH1A1CYP3A4MAPK1TDP1

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-8278219-B2 Method for purifying chemical added with chelating agent NOMURA MICRO SCIENCE CO., LTD. (JP) 2012-10-02 US disclosed
US-20100078589-A1 METHOD FOR PURIFYING CHEMICAL ADDED WITH CHELATING AGENT NOMURA MICRO SCIENCE CO., LTD. 2010-04-01 US disclosed