SCHEMBL3640209

SCHEMBL3640209

O=CCc1cc(Br)cc([N+](=O)[O-])c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.59
ALDH1A1 P00352 6/20 0.44
MAPT P10636 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
XDH P47989 1/20 0.42
SNCA P37840 1/20 0.42
KDM4E B2RXH2 2/20 0.41
RECQL P46063 2/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR35 Q9HC97 4/20 0.41
TTR P02766 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL16345283 0.86 ERN1 (0.54) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL17456081 0.83 ERN1 (0.51) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16097264 0.83 ERN1 (0.51) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL70055 0.83 ERN1 (0.57) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16702103 0.81 MAPT (0.47) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3840638 0.81 TTR (0.44) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL14151904 0.80 ERN1 (0.54) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL17746424 0.80 ERN1 (0.48) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16345017 0.80 ERN1 (0.48) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL4144580 0.78 ERN1 (0.69) ERN1ALDH1A1MAPTMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102304052-A Method for preparing 5-bromo-2-hydroxy-3-nitroacetophenone UNIV ZHEJIANG 2012-01-04 CN disclosed
EP-2167471-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2010-03-31 EP disclosed
WO-2009064418-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-05-22 WO disclosed
WO-2008147544-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 WO disclosed
WO-2008147547-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 WO disclosed