SCHEMBL6014263

SCHEMBL6014263

CCCCCCN(C(N)=O)c1nc2cc3c(cc2cc1C(=O)OCC)OCO3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.40
HSD17B10 Q99714 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 6/20 0.38
HPGD P15428 5/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 2/20 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
SCHEMBL6014280 0.99 LMNA (0.43) LMNATDP1SIRT2HSD17B10SMN1; SMN2
SCHEMBL6014320 0.96 LMNA (0.44) LMNATDP1SIRT2HSD17B10SMN1; SMN2
SCHEMBL6014316 0.92 LMNA (0.45) LMNATDP1SIRT2HSD17B10SMN1; SMN2
SCHEMBL6014271 0.88 LMNA (0.47) LMNATDP1SIRT2HSD17B10SMN1; SMN2
SCHEMBL6014265 0.83 LMNA (0.47) LMNATDP1SIRT2HSD17B10SMN1; SMN2
SCHEMBL6014253 0.82 LMNA (0.42) LMNATDP1HSD17B10SMN1; SMN2NPC1
SCHEMBL6014300 0.80 LMNA (0.45) LMNATDP1SIRT2HSD17B10SMN1; SMN2
SCHEMBL6014276 0.79 LMNA (0.44) LMNATDP1SIRT2HSD17B10SMN1; SMN2
SCHEMBL6014315 0.78 LMNA (0.43) LMNATDP1SIRT2HSD17B10SMN1; SMN2
SCHEMBL6014239 0.78 LMNA (0.43) LMNATDP1HSD17B10SMN1; SMN2NPC1

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