SCHEMBL27845119

SCHEMBL27845119

O=C(O)c1ccc(Br)c([N+](=O)[O-])n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MGAM O43451 1/20 0.38
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.37
P4HTM Q9NXG6 1/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ECE1 P42892 1/20 0.34
MYC P01106 1/20 0.34
MAX P61244 1/20 0.34

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
SCHEMBL1923229 0.76 BACE1 (0.37) TDP1ALDH1A1MAPT
SCHEMBL30370409 0.75 MAPT (0.37) KDM4EALDH1A1MAPTHTTKMT2A
SCHEMBL18979820 0.75 MAPT (0.37) KDM4EALDH1A1MAPTHTTKMT2A
SCHEMBL187794 0.75 KDM4E (0.58) KDM4ETDP1ALOX15ALDH1A1MAPT
SCHEMBL3629670 0.72 KDM4E (0.50) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL10025751 0.72 NPC1 (0.51) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3648082 0.71 KDM4E (0.48) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL15898801 0.71 KDM4E (0.48) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL16931203 0.70 CASP6 (0.47) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL30194732 0.69 KDM4E (0.48) KDM4ETDP1ALOX15TSHRACMSD

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-102197036-A Novel benzofurans suitable as precursors to compounds for imaging amyloid deposits ASTRAZENECA AB 2011-09-21 CN disclosed