SCHEMBL31448636

SCHEMBL31448636

O=Cc1ccc(F)cc1Oc1cccc(Br)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.39
MAPT P10636 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.35
EPAS1 Q99814 2/20 0.35
ARNT P27540 1/20 0.35
FBP1 P09467 2/20 0.33
PTPN1 P18031 1/20 0.33
ERN1 O75460 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
PRKDC P78527 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 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
SCHEMBL31448604 0.85 LMNA (0.46) MAPTTDP1GAAHTTL3MBTL1
SCHEMBL30772350 0.80 HSPB1 (0.39) HSPB1MAPTTDP1GAAHTT
SCHEMBL31497815 0.77 EPAS1 (0.47) HSPB1MAPTTDP1GAAHTT
SCHEMBL2625726 0.72 ERN1 (0.49) MAPTTDP1ALDH1A1ERN1ATM
SCHEMBL23094760 0.72 PRKDC (0.59) MAPTTDP1HTTL3MBTL1ALDH1A1
SCHEMBL31497857 0.72 EPAS1 (0.43) HSPB1MAPTTDP1HTTALDH1A1
SCHEMBL31497825 0.72 MAPT (0.42) HSPB1MAPTTDP1GAAHTT
SCHEMBL4971404 0.71 NFE2L2 (0.44) HSPB1GAAHTTALDH1A1ERN1
SCHEMBL15201990 0.70 PTPN1 (0.45) TDP1GAAHTTL3MBTL1ALDH1A1
SCHEMBL30772401 0.70 L3MBTL1 (0.35) HSPB1MAPTTDP1GAAHTT

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
CN-119343332-A 3, 4-Dihydro-quinolin-2 (1H) -one compounds 橘生药品工业株式会社 2025-01-21 CN disclosed