SCHEMBL22325879

SCHEMBL22325879

CNc1ccc(Br)c(F)c1[N+](=O)[O-].CNc1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
HTT P42858 3/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KAT2B Q92831 1/20 0.35
ARNT P27540 1/20 0.34
EPAS1 Q99814 1/20 0.34
PTGER4 P35408 1/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 2/20 0.33
MAPK1 P28482 2/20 0.33
HCAR3 P49019 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 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
SCHEMBL16738942 0.91 PTGER4 (0.38) MAPTHTTLMNAALDH1A1TDP1
SCHEMBL22326103 0.87 HCAR3 (0.36) MAPTHTTLMNAALDH1A1TDP1
SCHEMBL1855978 0.86 ALDH1A1 (0.45) MAPTHTTLMNAALDH1A1TDP1
SCHEMBL22325730 0.85 ALDH1A1 (0.44) MAPTHTTLMNAALDH1A1TDP1
SCHEMBL22325902 0.78 MAPT (0.39) MAPTHTTLMNAALDH1A1PTGER4
SCHEMBL31577354 0.78 ALDH1A1 (0.44) MAPTHTTLMNAALDH1A1TDP1
SCHEMBL7881974 0.78 ALDH1A1 (0.44) MAPTHTTLMNAALDH1A1TDP1
SCHEMBL29860564 0.76 MAPT (0.40) MAPTHTTLMNAALDH1A1TDP1
SCHEMBL26666526 0.76 MAPT (0.40) MAPTHTTLMNAALDH1A1TDP1
SCHEMBL16739101 0.76 VCP (0.40) MAPTALDH1A1TDP1PTGER4MAPK1

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