SCHEMBL6014258

SCHEMBL6014258

CCOC(=O)c1cc2cc3c(cc2nc1-c1cc(C(F)(F)F)ccc1NC(N)=O)OCO3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 4/20 0.38
TSHR P16473 2/20 0.38
DHODH Q02127 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPK1 P28482 2/20 0.37
THRB P10828 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 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
SCHEMBL6014309 0.89 TSHR (0.44) L3MBTL1NPSR1LMNATDP1JAK2
SCHEMBL6014251 0.89 ALDH1A1 (0.43) L3MBTL1NPSR1LMNATDP1JAK2
SCHEMBL6014272 0.88 LMNA (0.41) L3MBTL1NPSR1LMNATDP1JAK2
SCHEMBL6014270 0.88 LMNA (0.41) L3MBTL1NPSR1LMNATDP1JAK2
SCHEMBL6014227 0.87 MAPT (0.40) L3MBTL1NPSR1LMNATDP1JAK2
SCHEMBL6014229 0.87 ALDH1A1 (0.41) L3MBTL1NPSR1LMNATDP1JAK2
SCHEMBL6016092 0.86 ALDH1A1 (0.45) NPSR1LMNATDP1JAK2JAK3
SCHEMBL6014275 0.86 DHODH (0.42) L3MBTL1NPSR1LMNATDP1JAK2
SCHEMBL6014286 0.84 SMN1; SMN2 (0.46) NPSR1LMNATDP1JAK2JAK3
SCHEMBL6014234 0.82 MAPT (0.40) L3MBTL1NPSR1LMNATDP1JAK2

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