SCHEMBL7470093

SCHEMBL7470093

O=[N+]([O-])c1ccc(S(=O)(=O)OCC2CO2)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.67
WDR77 Q9BQA1 1/20 0.67
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 2/20 0.50
HIF1A Q16665 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GUSB P08236 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR35 Q9HC97 1/20 0.39
TXNRD1 Q16881 1/20 0.38

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
SCHEMBL27548997 0.87 PRMT5 (0.67) PRMT5WDR77ALDH1A1MAPK1HIF1A
SCHEMBL27568729 0.87 PRMT5 (0.67) PRMT5WDR77ALDH1A1MAPK1HIF1A
SCHEMBL27568726 0.87 PRMT5 (0.67) PRMT5WDR77ALDH1A1MAPK1HIF1A
SCHEMBL1164097 0.83 PRMT5 (0.72) PRMT5WDR77ALDH1A1GAALMNA
SCHEMBL2967442 0.83 PRMT5 (0.72) PRMT5WDR77ALDH1A1GAALMNA
SCHEMBL9645456 0.83 PRMT5 (0.72) PRMT5WDR77ALDH1A1GAALMNA
SCHEMBL3901109 0.82 PRMT5 (0.60) PRMT5WDR77ALDH1A1MEN1KMT2A
SCHEMBL10500771 0.82 PRMT5 (0.60) PRMT5WDR77ALDH1A1MEN1KMT2A
SCHEMBL4658490 0.82 PRMT5 (0.60) PRMT5WDR77ALDH1A1MEN1KMT2A
SCHEMBL336605 0.80 PRMT5 (1.00) PRMT5WDR77ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0930307-B1 PROCESS FOR THE PREPARATION OF GLYCIDYL ETHERS DAISO CO LTD (JP) 2002-12-04 EP disclosed
EP-0930291-B1 PROCESS FOR THE PREPARATION OF 3-AMINO-2-HYDROXY-1-PROPYL ETHERS DAISO CO LTD (JP) 2002-08-14 EP disclosed
US-6087512-A Process for preparation of glycidyl ether DAISO CO., LTD. (JP) 2000-07-11 US disclosed
US-6057476-A Process for the preparation of 3-amino-2-hydroxy-1-propyl ethers DAISO CO., LTD. (JP) 2000-05-02 US disclosed
EP-0930291-A1 PROCESS FOR THE PREPARATION OF 3-AMINO-2-HYDROXY-1-PROPYL ETHERS DAISO CO., LTD. (JP) 1999-07-21 EP disclosed
EP-0930307-A1 PROCESS FOR THE PREPARATION OF GLYCIDYL ETHERS DAISO CO., LTD. (JP) 1999-07-21 EP disclosed
EP-0609025-B1 Process for producing optically active epoxy alcohol derivatives ARCO CHEM TECH (US) 1996-04-17 EP disclosed
EP-0609025-A1 Process for producing optically active epoxy alcohol derivatives ARCO Chemical Technology, L.P. (US) 1994-08-03 EP disclosed