SCHEMBL6562182

SCHEMBL6562182

CCC/C(=N\O)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
THRB P10828 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.37
GSK3B P49841 1/20 0.36
TP53 P04637 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
SCHEMBL6562185 1.00 GAA (0.46) GAASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL6443528 0.85 KDM4E (0.50) SMN1; SMN2MAPTLMNAL3MBTL1KDM4E
SCHEMBL13636390 0.83 GAA (0.52) GAASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL8910598 0.83 GAA (0.52) GAASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL17813314 0.81 MAPT (0.39) GAASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL5449384 0.81 ATM (0.54) SMN1; SMN2ALDH1A1MAPTKMT2ACES2
SCHEMBL14604957 0.81 ATM (0.54) SMN1; SMN2ALDH1A1MAPTKMT2ACES2
SCHEMBL5449388 0.81 ATM (0.54) SMN1; SMN2ALDH1A1MAPTKMT2ACES2
SCHEMBL7197777 0.80 LMNA (0.41) GAASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL7197778 0.80 LMNA (0.41) GAASMN1; SMN2ALDH1A1MAPTKMT2A

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
EP-1242389-B1 NOVEL BRANCHED SUBSTITUTED AMINO DERIVATIVES OF 3-AMINO-1-PHENYL-1H[1,2,4]TRIAZOL, METHODS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI SYNTHELABO (FR) 2004-04-21 EP disclosed
EP-1242389-A2 NOVEL BRANCHED SUBSTITUTED AMINO DERIVATIVES OF 3-AMINO-1-PHENYL-1H[1,2,4]TRIAZOL, METHODS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2002-09-25 EP disclosed
WO-2001044207-A2 NOVEL BRANCHED SUBSTITUTED AMINO DERIVATIVES OF 3-AMINO-1-PHENYL-1H[1,2,4]TRIAZOL, METHODS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-06-21 WO disclosed