SCHEMBL22325872

SCHEMBL22325872

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TTR P02766 1/20 0.43
ALB P02768 1/20 0.43
THRB P10828 1/20 0.43
PIN1 Q13526 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
RECQL P46063 2/20 0.42
HSPB1 P04792 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR35 Q9HC97 1/20 0.40
ATM Q13315 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL22325849 0.91 HSPB1 (0.42) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL22325973 0.91 MEN1 (0.44) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL11649655 0.88 HSPB1 (0.50) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL22326019 0.83 PIN1 (0.35) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL6295009 0.82 MERTK (0.50) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL10884667 0.81 RECQL (0.51) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL5552463 0.80 HSD17B10 (0.56) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL11160072 0.80 TDP1 (0.50) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL9127099 0.80 GPR35 (0.51) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL2326248 0.80 MAPT (0.64) MAPTPOLBTDP1MEN1KMT2A

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