SCHEMBL4796153

SCHEMBL4796153

CCOC(=O)c1cc2cc([N+](=O)[O-])cc(-c3c(Br)cnn3C)c2o1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.36
GSK3B P49841 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAOB P27338 1/20 0.34
AR P10275 2/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL4881352 0.84 HTR2A (0.39) HTR2AHTR2CMAOB
SCHEMBL4780935 0.82 MAPT (0.45) MAPTRAB9AGAAPOLBNPC1
SCHEMBL4727973 0.80 MAPT (0.53) MAPTRAB9AGAANPC1HTT
SCHEMBL6987618 0.77 MAPT (0.54) MAPTRAB9AGAAPOLBNPC1
SCHEMBL4780197 0.77 HTR2A (0.42) HTR2AHTR2C
SCHEMBL4780191 0.76 HTR2A (0.62) HTR2AHTR2C
SCHEMBL4727771 0.76 HTR2A (0.57) HTR2AHTR2C
SCHEMBL6979379 0.76 MAPT (0.55) MAPTRAB9AGAAPOLBNPC1
SCHEMBL4727184 0.76 HTR2A (0.60) HTR2AHTR2C
SCHEMBL4778898 0.74 ALDH1A1 (0.37) MAPTRAB9APOLBHTR2AHTR2C

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