SCHEMBL6014307

SCHEMBL6014307

CCOC(=O)c1cc2cc3c(cc2nc1-c1cccc(OC)c1NC(N)=O)OCO3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 7/20 0.41
HTT P42858 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
POLB P06746 1/20 0.38
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6014299 0.89 LMNA (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6014254 0.86 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6014260 0.83 LMNA (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6016092 0.82 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6014309 0.81 TSHR (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6014251 0.80 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6014270 0.80 LMNA (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6014272 0.80 LMNA (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6014234 0.79 MAPT (0.40) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6014229 0.79 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA

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
WO-2006128268-A1 UREIDIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE ON THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) 2006-12-07 WO claimed
WO-2006128268-A1 UREIDIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE ON THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) 2006-12-07 WO disclosed