SCHEMBL7987720

SCHEMBL7987720

O=[N+]([O-])c1cccc(S(=O)(=O)OCCc2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.53
WDR77 Q9BQA1 1/20 0.53
KMT2A Q03164 5/20 0.48
GAA P10253 2/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 4/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
CA2 P00918 2/20 0.46
CA5A P35218 1/20 0.46
CNR2 P34972 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
CYP19A1 P11511 1/20 0.44
AR P10275 1/20 0.44
F2 P00734 2/20 0.43
CA1 P00915 1/20 0.43
MMP1 P03956 1/20 0.43

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
SCHEMBL7987758 0.83 KMT2A (0.47) PRMT5WDR77KMT2AGAAHTT
SCHEMBL31337093 0.83 FFAR1 (0.56) PRMT5WDR77KMT2AGAAHTT
SCHEMBL27264924 0.82 KMT2A (0.59) PRMT5WDR77KMT2AGAAHTT
SCHEMBL27464615 0.80 KMT2A (0.60) PRMT5WDR77KMT2AGAAHTT
SCHEMBL2239807 0.79 KMT2A (0.59) PRMT5WDR77KMT2AGAAHTT
SCHEMBL26230893 0.79 F2 (0.49) PRMT5WDR77LMNAMAPTL3MBTL1
SCHEMBL8000921 0.79 TDP1 (0.56) MAPTCA2F2CA1
SCHEMBL2883933 0.78 PRMT5 (0.49) PRMT5WDR77KMT2AGAAHTT
SCHEMBL7987799 0.78 HPGD (0.57) GAALMNAMAPTHPGD
SCHEMBL7987798 0.78 HPGD (0.57) GAALMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288096-B1 ANTIDIABETIC AGENTS, HYPOTENSIVE AGENTS, AND ANTICHOLESTEROL AGENTS ASTRAZENECA AB (SE) 2001-09-11 US disclosed
EP-0991632-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES Astra Aktiebolag (SE) 2000-04-12 EP disclosed
WO-1998057941-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1998-12-23 WO disclosed