SCHEMBL9350146

SCHEMBL9350146

O=S(=O)(O)c1ccc2c(S(=O)(=O)O)c(O)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP1A2 P05177 4/20 0.52
HIF1A Q16665 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
CASP6 P55212 3/20 0.47
NSD2 O96028 2/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
CYP2C9 P11712 4/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.45
PRMT1 Q99873 2/20 0.44
NT5E P21589 1/20 0.44
ENPP2 Q13822 3/20 0.43
HPGD P15428 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
SCHEMBL10408502 0.89 MEN1 (0.47) ALDH1A1CYP1A2HIF1ATDP1MEN1
SCHEMBL3203561 0.86 ALDH1A1 (0.54) ALDH1A1CYP1A2HIF1ATDP1MEN1
SCHEMBL11518386 0.86 ALDH1A1 (0.49) ALDH1A1CYP1A2HIF1ATDP1MEN1
SCHEMBL4280353 0.86 ALDH1A1 (0.54) ALDH1A1CYP1A2HIF1ATDP1MEN1
SCHEMBL11759576 0.85 ALDH1A1 (0.53) ALDH1A1CYP1A2HIF1ATDP1MEN1
SCHEMBL4280346 0.85 ALDH1A1 (0.53) ALDH1A1CYP1A2HIF1ATDP1MEN1
SCHEMBL28118639 0.85 CASP6 (0.53) ALDH1A1CYP1A2HIF1ATDP1MEN1
SCHEMBL3901952 0.82 ALDH1A1 (0.56) ALDH1A1CYP1A2HIF1ATDP1MEN1
SCHEMBL4057427 0.82 ALDH1A1 (0.53) ALDH1A1CYP1A2HIF1ATDP1MEN1
SCHEMBL1195841 0.82 ALDH1A1 (0.53) ALDH1A1CYP1A2HIF1ATDP1MEN1

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
EP-0320227-B1 Method of preventing polymer-scale formation SHINETSU CHEMICAL CO (JP) 1994-09-07 EP disclosed
EP-0320227-A2 Method of preventing polymer-scale formation Shin-Etsu Chemical Co., Ltd. (JP) 1989-06-14 EP disclosed