SCHEMBL22325973

SCHEMBL22325973

Nc1cccc(Br)c1Oc1ccccc1.O=[N+]([O-])c1cccc(Br)c1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
TTR P02766 1/20 0.44
ALB P02768 1/20 0.44
THRB P10828 1/20 0.44
PDE7A Q13946 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CTSB P07858 1/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.38
PIN1 Q13526 1/20 0.37
RECQL P46063 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSPB1 P04792 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL22325872 0.91 MAPT (0.44) MEN1KMT2ATDP1TTRALB
SCHEMBL11160072 0.88 TDP1 (0.50) MEN1KMT2ATDP1TTRALB
SCHEMBL22325849 0.83 HSPB1 (0.42) MEN1KMT2ATDP1TTRALB
SCHEMBL22326024 0.83 MAOB (0.44) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL11649655 0.80 HSPB1 (0.50) MEN1KMT2ATDP1TTRALB
SCHEMBL22326019 0.79 PIN1 (0.35) MEN1KMT2ATDP1TTRALB
SCHEMBL22325996 0.75 ALDH1A1 (0.43) MEN1KMT2ATDP1TTRALB
SCHEMBL6295009 0.75 MERTK (0.50) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL10884667 0.74 RECQL (0.51) MEN1KMT2ATDP1TTRALB
SCHEMBL5552463 0.73 HSD17B10 (0.56) MEN1KMT2ATDP1TTRALB

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-2020162471-A1 PYRIDONE DERIVATIVE マルホ株式会社 2020-08-13 WO disclosed