SCHEMBL8935115

SCHEMBL8935115

O=[N+]([O-])c1ccccc1C1CCOO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3B Q9UBC3 4/20 0.40
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CUL4A Q13619 1/20 0.38
HSD17B10 Q99714 2/20 0.38
PKM P14618 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ABCC4 O15439 1/20 0.36
PLIN1 O60240 1/20 0.36
CACNA1F O60840 1/20 0.36
GMNN O75496 1/20 0.36
KCNK2 O95069 1/20 0.36
ABCB11 O95342 1/20 0.36
GSR P00390 1/20 0.36

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
SCHEMBL30844063 0.78 MEN1 (0.44) DNMT3BTDP1MAPTKDM4EKMT2A
SCHEMBL1021883 0.78 MEN1 (0.44) DNMT3BTDP1MAPTKDM4EKMT2A
SCHEMBL10819483 0.77 ALDH1A1 (0.43) TDP1MAPTKDM4EKMT2AMEN1
SCHEMBL5486010 0.76 HTT (0.44) DNMT3BTDP1MAPTKDM4EKMT2A
SCHEMBL2045458 0.76 GPR35 (0.45) TDP1MAPTKMT2AMEN1GAA
SCHEMBL15967952 0.73 DNMT3B (0.45) DNMT3BTDP1MAPTKDM4EKMT2A
SCHEMBL18555673 0.73 MEN1 (0.41) DNMT3BTDP1MAPTKDM4EKMT2A
SCHEMBL3253975 0.73 HSD17B10 (0.47) TDP1MAPTKDM4EKMT2AMEN1
SCHEMBL31525035 0.73 HSD17B10 (0.47) TDP1MAPTKDM4EKMT2AMEN1
SCHEMBL9651364 0.73 TP53 (0.41) DNMT3BTDP1MAPTKDM4EKMT2A

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
EP-0630261-A4 NEW CYCLODEXTRINS AND NEW FORMULATED DRUGS. AUSTRALIAN COMMERCIAL RESEARCH (AU) 1996-11-06 EP disclosed
EP-0630261-A1 NEW CYCLODEXTRINS AND NEW FORMULATED DRUGS AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1994-12-28 EP disclosed
WO-1993017711-A1 NEW CYCLODEXTRINS AND NEW FORMULATED DRUGS AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1993-09-16 WO disclosed