SCHEMBL7020131

SCHEMBL7020131

CC(C)(Br)C(=O)Nc1cc([N+](=O)[O-])ccc1O.O=C1C=CCON1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
PABPC1 P11940 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
EIF4H Q15056 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
KCNMA1 Q12791 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 5/20 0.42
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL447659 0.83 MEN1 (0.58) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL7020129 0.81 MEN1 (0.42) MEN1KMT2APABPC1DUSP3PTPN5
2-Amino-4-Nitrophenol SCHEMBL6224982 0.77 GAA (0.60) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL6226293 0.73 MEN1 (0.46) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL5822370 0.71 MEN1 (0.58) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL7299760 0.70 MEN1 (0.59) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL915213 0.68 MEN1 (0.64) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL655856 0.67 MEN1 (0.56) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL1024222 0.66 CXCR2 (0.68) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL1024223 0.66 CXCR2 (0.68) MEN1KMT2APABPC1DUSP3PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO disclosed