SCHEMBL6014231

SCHEMBL6014231

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD17B10 Q99714 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 4/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 9/20 0.39
HPGD P15428 5/20 0.38
KDM4E B2RXH2 3/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CFTR P13569 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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 0.92 LMNA (0.43) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014277 0.91 LMNA (0.42) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014281 0.91 LMNA (0.42) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014312 0.91 TSHR (0.44) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014228 0.91 LMNA (0.42) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014239 0.90 LMNA (0.43) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6016093 0.90 ALDH1A1 (0.45) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014250 0.89 LMNA (0.41) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014282 0.89 RAB9A (0.41) LMNATDP1HSD17B10SMN1; SMN2MAPT
SCHEMBL6014264 0.88 LMNA (0.40) 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