SCHEMBL6052093

SCHEMBL6052093

CC1CN(c2ccc([N+](=O)[O-])cc2C#N)CC(C)N1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.73
GAA P10253 4/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
HTT P42858 1/20 0.64
LMNA P02545 5/20 0.63
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
VCAM1 P19320 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
BCHE P06276 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GHSR Q92847 1/20 0.42

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
SCHEMBL6052095 1.00 ALDH1A1 (0.73) ALDH1A1GAASMN1; SMN2HTTLMNA
SCHEMBL18186377 0.83 HTT (0.63) ALDH1A1GAASMN1; SMN2HTTLMNA
SCHEMBL10126809 0.82 HTT (0.69) ALDH1A1GAASMN1; SMN2HTTLMNA
SCHEMBL1046567 0.81 HTT (0.67) ALDH1A1GAASMN1; SMN2HTTLMNA
SCHEMBL994308 0.81 HTT (0.80) ALDH1A1GAASMN1; SMN2HTTLMNA
SCHEMBL1046568 0.81 HTT (0.67) ALDH1A1GAASMN1; SMN2HTTLMNA
SCHEMBL18186283 0.80 HTT (0.66) ALDH1A1GAASMN1; SMN2HTTLMNA
SCHEMBL993768 0.79 HTT (0.64) ALDH1A1GAASMN1; SMN2HTTLMNA
SCHEMBL993767 0.79 HTT (0.64) ALDH1A1GAASMN1; SMN2HTTLMNA
SCHEMBL30366718 0.79 HTT (0.64) ALDH1A1GAASMN1; SMN2HTTLMNA

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 3 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
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP disclosed