SCHEMBL4780935

SCHEMBL4780935

CCOC(=O)c1cc2cc([N+](=O)[O-])cc(-c3ccnn3C)c2o1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
PKM P14618 1/20 0.40
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
AR P10275 2/20 0.38
LMNA P02545 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
POLB P06746 1/20 0.37
GSK3B P49841 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
SCHEMBL4796153 0.82 MAPT (0.43) MAPTGAARAB9APKMHTT
SCHEMBL6987618 0.80 MAPT (0.54) MAPTGAARAB9AHTTL3MBTL1
SCHEMBL6979379 0.79 MAPT (0.55) MAPTGAARAB9AHTTL3MBTL1
SCHEMBL4782514 0.78 FNTA (0.39) MAPTRAB9AL3MBTL1LMNAPOLB
SCHEMBL4727973 0.77 MAPT (0.53) MAPTGAARAB9AHTTL3MBTL1
SCHEMBL26688263 0.77 MAPT (0.53) MAPTGAARAB9AHTTL3MBTL1
SCHEMBL6985505 0.76 MAPT (0.73) MAPTGAARAB9AHTTL3MBTL1
SCHEMBL6983248 0.75 MAPT (0.51) MAPTGAARAB9AHTTL3MBTL1
SCHEMBL4795025 0.72 CHEK1 (0.40) MAPTRAB9APKMHTTL3MBTL1
SCHEMBL2249264 0.72 POLB (0.52) MAPTGAARAB9ANPC1POLB

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-2008027483-A1 BENZOFURAN DERIVATIVES AS MODULATORS OF THE 5-HT2A RECEPTOR ARENA PHARMACEUTICALS, INC. (US) 2008-03-06 WO disclosed