SCHEMBL5258243

SCHEMBL5258243

CCC=Cc1cc([N+](=O)[O-])ccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GALR3 O60755 1/20 0.41
ALDH1A1 P00352 5/20 0.40
ERN1 O75460 1/20 0.40
NPBWR1 P48145 1/20 0.38
TDP1 Q9NUW8 4/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
FAAH O00519 1/20 0.37
POLB P06746 3/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.36
PTGS2 P35354 1/20 0.36
ADRA2A P08913 1/20 0.36
PNMT P11086 1/20 0.36

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
SCHEMBL445878 0.87 ERN1 (0.42) HTTL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL445879 0.87 ERN1 (0.42) HTTL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL445965 0.85 HTT (0.42) HTTL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL445964 0.85 HTT (0.42) HTTL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL12798322 0.81 PTPRC (0.44) HTTKMT2AMEN1ALDH1A1ERN1
SCHEMBL11332799 0.80 POLB (0.34) HTTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL11332788 0.80 POLB (0.34) HTTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL447370 0.79 HRH3 (0.44) HTTL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL447371 0.79 HRH3 (0.44) HTTL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL16954117 0.78 SMN1; SMN2 (0.50) HTTL3MBTL1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773817-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2007-04-18 EP disclosed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 WO disclosed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 EP disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
EP-1467721-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS Amgen Inc. (US) 2004-10-20 EP disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed