SCHEMBL6014264

SCHEMBL6014264

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
MAOB P27338 2/20 0.39
HSD17B10 Q99714 4/20 0.37
TSHR P16473 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL6014312 0.90 TSHR (0.44) LMNATDP1SMN1; SMN2MAPTNPC1
SCHEMBL6014256 0.90 LMNA (0.43) LMNATDP1SMN1; SMN2MAPTNPC1
SCHEMBL6014281 0.89 LMNA (0.42) LMNATDP1SMN1; SMN2MAPTNPC1
SCHEMBL6014277 0.89 LMNA (0.42) LMNATDP1SMN1; SMN2MAPTNPC1
SCHEMBL6014231 0.88 LMNA (0.42) LMNATDP1SMN1; SMN2MAPTNPC1
SCHEMBL6014228 0.88 LMNA (0.42) LMNATDP1SMN1; SMN2MAPTNPC1
SCHEMBL6014239 0.88 LMNA (0.43) LMNATDP1SMN1; SMN2MAPTNPC1
SCHEMBL6016093 0.87 ALDH1A1 (0.45) LMNATDP1SMN1; SMN2MAPTNPC1
SCHEMBL6014282 0.86 RAB9A (0.41) LMNATDP1SMN1; SMN2MAPTNPC1
SCHEMBL6014250 0.86 LMNA (0.41) LMNATDP1SMN1; SMN2MAPTNPC1

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