SCHEMBL7987758

SCHEMBL7987758

O=Cc1ccc(OCCc2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
F2 P00734 1/20 0.45
AR P10275 1/20 0.44
KCNH2 Q12809 2/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
CA5A P35218 1/20 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
SCHEMBL7987720 0.83 PRMT5 (0.53) KMT2AMEN1L3MBTL1F2AR
SCHEMBL7987799 0.83 HPGD (0.57) ALDH1A1LMNAMAPTGAA
SCHEMBL7987798 0.83 HPGD (0.57) ALDH1A1LMNAMAPTGAA
SCHEMBL7996839 0.82 CA12 (0.51) F2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8000465 0.78 FFAR1 (0.47) KMT2AMEN1ALDH1A1MAPT
SCHEMBL7987910 0.78 ALDH1A1 (0.49) L3MBTL1F2ALDH1A1LMNAMAPT
SCHEMBL31337093 0.77 FFAR1 (0.56) KMT2AMEN1ARPRMT5WDR77
SCHEMBL27264924 0.75 KMT2A (0.59) KMT2AMEN1PRMT5WDR77ALDH1A1
SCHEMBL27464615 0.74 KMT2A (0.60) KMT2AMEN1PRMT5WDR77LMNA
SCHEMBL27836908 0.74 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1LMNAMAPT

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