SCHEMBL6014281

SCHEMBL6014281

CCOC(=O)c1cc2cc3c(cc2nc1N(C(N)=O)c1ccc(N)cc1)OCO3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD17B10 Q99714 7/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TSHR P16473 4/20 0.39
NPC1 O15118 4/20 0.39
MAPT P10636 4/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 9/20 0.39
HPGD P15428 6/20 0.39
KDM4E B2RXH2 4/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ALOX15 P16050 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 2/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
TP53 P04637 1/20 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
SCHEMBL6014256 0.93 LMNA (0.43) LMNATDP1HSD17B10SMN1; SMN2TSHR
SCHEMBL6014277 0.92 LMNA (0.42) LMNATDP1HSD17B10SMN1; SMN2TSHR
SCHEMBL6014312 0.91 TSHR (0.44) LMNATDP1HSD17B10SMN1; SMN2TSHR
SCHEMBL6014228 0.91 LMNA (0.42) LMNATDP1HSD17B10SMN1; SMN2TSHR
SCHEMBL6014231 0.91 LMNA (0.42) LMNATDP1HSD17B10SMN1; SMN2TSHR
SCHEMBL6014239 0.91 LMNA (0.43) LMNATDP1HSD17B10SMN1; SMN2TSHR
SCHEMBL6016093 0.91 ALDH1A1 (0.45) LMNATDP1HSD17B10SMN1; SMN2TSHR
SCHEMBL6014250 0.90 LMNA (0.41) LMNATDP1HSD17B10SMN1; SMN2TSHR
SCHEMBL6014282 0.90 RAB9A (0.41) LMNATDP1HSD17B10SMN1; SMN2TSHR
SCHEMBL6014264 0.89 LMNA (0.40) LMNATDP1HSD17B10SMN1; SMN2TSHR

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