SCHEMBL22326019

SCHEMBL22326019

Brc1ccc2cc[nH]c2c1Oc1ccccc1.O=[N+]([O-])c1cccc(Br)c1Oc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.35
MAPT P10636 6/20 0.34
POLB P06746 1/20 0.34
XDH P47989 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
THRB P10828 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
KEAP1 Q14145 1/20 0.33
BRD4 O60885 1/20 0.33
RHEB Q15382 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPK1 P28482 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 2/20 0.32
F2 P00734 1/20 0.32

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
SCHEMBL22325829 0.83 RHEB (0.43) MAPTKMT2AKEAP1BRD4RHEB
SCHEMBL22325872 0.83 MAPT (0.44) PIN1MAPTPOLBALDH1A1MEN1
SCHEMBL22325973 0.79 MEN1 (0.44) PIN1MAPTPOLBALDH1A1MEN1
SCHEMBL22325849 0.76 HSPB1 (0.42) PIN1MAPTPOLBALDH1A1MEN1
SCHEMBL11649655 0.73 HSPB1 (0.50) PIN1MAPTPOLBALDH1A1MEN1
SCHEMBL22325916 0.70 BRPF1 (0.42) POLBALDH1A1KEAP1BRD4RHEB
SCHEMBL11160072 0.70 TDP1 (0.50) PIN1MAPTPOLBALDH1A1MEN1
SCHEMBL5552463 0.70 HSD17B10 (0.56) PIN1MAPTPOLBALDH1A1MEN1
SCHEMBL259909 0.69 TDP1 (0.54) MAPTALDH1A1MEN1KMT2ATHRB
SCHEMBL6295009 0.69 MERTK (0.50) MAPTPOLBMEN1KMT2AMAPK1

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