SCHEMBL4954262

SCHEMBL4954262

O=C(O)C=Cc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
PTGS2 P35354 1/20 0.50
MAOB P27338 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HSP90AA1 P07900 1/20 0.46
ATM Q13315 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
BACE1 P56817 2/20 0.43
S100A4 P26447 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
ERN1 O75460 1/20 0.43

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
SCHEMBL4954274 1.00 MAPT (0.62) MAPTPTGS2MAOBALDH1A1LMNA
SCHEMBL4954257 1.00 MAPT (0.62) MAPTPTGS2MAOBALDH1A1LMNA
SCHEMBL29134667 0.88 MAPT (0.62) MAPTMAOBALDH1A1LMNAHSP90AA1
SCHEMBL29134666 0.88 MAPT (0.62) MAPTMAOBALDH1A1LMNAHSP90AA1
SCHEMBL3602553 0.83 MAPT (0.64) MAPTPTGS2MAOBALDH1A1KMT2A
SCHEMBL989659 0.83 MAPT (0.64) MAPTPTGS2MAOBALDH1A1KMT2A
SCHEMBL10780080 0.83 MAPT (0.64) MAPTPTGS2MAOBALDH1A1LMNA
SCHEMBL9658637 0.83 MAPT (0.64) MAPTPTGS2MAOBKMT2AMEN1
SCHEMBL9658649 0.83 MAPT (0.64) MAPTPTGS2MAOBKMT2AMEN1
SCHEMBL1174503 0.83 MAPT (0.64) MAPTPTGS2MAOBALDH1A1KMT2A

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-2009002955-A1 PROCESS FOR THE PREPARATION OF (2R)-2-[4-(7-BROMO-2-QUINOLYLOXY)PHENOXY]PROPANOIC ACID SANOFI-AVENTIS U.S. LLC (US) 2008-12-31 WO disclosed