SCHEMBL6236217

SCHEMBL6236217

CCOC(=O)C=CC(C)=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
KMT2A Q03164 4/20 0.60
PKM P14618 2/20 0.60
MEN1 O00255 3/20 0.54
NPC1 O15118 1/20 0.54
HSP90AA1 P07900 1/20 0.54
HPGD P15428 1/20 0.54
CCR6 P51684 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
KDM4E B2RXH2 2/20 0.47
MAOB P27338 2/20 0.47
PTGS2 P35354 1/20 0.47
GLO1 Q04760 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL6236215 1.00 MAPT (0.60) MAPTKMT2APKMMEN1NPC1
SCHEMBL6243666 0.92 MAPT (0.54) MAPTKMT2APKMMEN1NPC1
SCHEMBL6243664 0.92 MAPT (0.54) MAPTKMT2APKMMEN1NPC1
SCHEMBL845971 0.84 CA12 (0.65) MAPTKMT2APKMMEN1MAOB
SCHEMBL13957414 0.84 CA12 (0.65) MAPTKMT2APKMMEN1MAOB
SCHEMBL275824 0.84 CA12 (0.65) MAPTKMT2APKMMEN1MAOB
SCHEMBL15347690 0.81 KMT2A (0.64) MAPTKMT2APKMMEN1NPC1
SCHEMBL6236523 0.81 GLO1 (0.50) MAPTKMT2APKMMEN1NPC1
SCHEMBL6236528 0.81 GLO1 (0.50) MAPTKMT2APKMMEN1NPC1
SCHEMBL11980044 0.81 KMT2A (0.48) MAPTKMT2APKMMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005011661-A1 PHARMACEUTICAL AGENTS UNIVERSITY COLLEGE LONDON (GB) 2005-02-10 WO disclosed