SCHEMBL6052258

SCHEMBL6052258

N#Cc1cc([N+](=O)[O-])ccc1N1CCC(=O)CC1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.76
LMNA P02545 5/20 0.76
KMT2A Q03164 2/20 0.66
SMN1; SMN2 Q16637 5/20 0.64
GAA P10253 4/20 0.64
MAPT P10636 4/20 0.64
MEN1 O00255 1/20 0.64
VCAM1 P19320 1/20 0.51
HTT P42858 1/20 0.46
BCHE P06276 1/20 0.46
SLC6A9 P48067 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FFAR2 O15552 1/20 0.45

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
SCHEMBL7515195 0.92 ALDH1A1 (0.66) ALDH1A1LMNAKMT2ASMN1; SMN2GAA
SCHEMBL5794653 0.85 ALDH1A1 (0.97) ALDH1A1LMNAKMT2ASMN1; SMN2GAA
SCHEMBL7509581 0.84 ALDH1A1 (0.55) ALDH1A1LMNAKMT2ASMN1; SMN2GAA
SCHEMBL5652459 0.83 ALDH1A1 (0.76) ALDH1A1LMNAKMT2ASMN1; SMN2GAA
SCHEMBL3656638 0.83 ALDH1A1 (0.76) ALDH1A1LMNAKMT2ASMN1; SMN2GAA
SCHEMBL2848571 0.83 ALDH1A1 (0.76) ALDH1A1LMNAKMT2ASMN1; SMN2GAA
SCHEMBL853027 0.81 ALDH1A1 (0.72) ALDH1A1LMNAKMT2ASMN1; SMN2GAA
SCHEMBL5652324 0.80 ALDH1A1 (0.67) ALDH1A1LMNAKMT2ASMN1; SMN2GAA
SCHEMBL15321459 0.80 ALDH1A1 (0.71) ALDH1A1LMNAKMT2ASMN1; SMN2GAA
SCHEMBL25220638 0.79 ALDH1A1 (0.69) ALDH1A1LMNAKMT2ASMN1; SMN2GAA

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
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
CN-1230421-C Amide compound and pharmaceutical use thereof MITSUBISHI CHEM CORP (JP) 2005-12-07 CN disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
CN-1346348-A Amide compound and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 2002-04-24 CN disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP disclosed