SCHEMBL6014316

SCHEMBL6014316

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HSD17B10 Q99714 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
TSHR P16473 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
ALDH1A1 P00352 8/20 0.40
HPGD P15428 6/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 6/20 0.39
RAB9A P51151 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL6014320 0.94 LMNA (0.44) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014280 0.93 LMNA (0.43) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014263 0.92 LMNA (0.42) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014271 0.92 LMNA (0.47) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014265 0.86 LMNA (0.47) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014253 0.85 LMNA (0.42) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014300 0.83 LMNA (0.45) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014276 0.82 LMNA (0.44) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014315 0.81 LMNA (0.43) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014239 0.81 LMNA (0.43) LMNATDP1HSD17B10SMN1; SMN2MAPT

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