SCHEMBL6014234

SCHEMBL6014234

CCOC(=O)c1cc2cc3c(cc2nc1-c1ccc(Cl)cc1NC(N)=O)OCO3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
LMNA P02545 4/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
CFTR P13569 2/20 0.39
DHODH Q02127 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 3/20 0.37
TSHR P16473 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 3/20 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
SCHEMBL6014227 0.93 MAPT (0.40) MAPTLMNATHRBTDP1JAK2
SCHEMBL6014251 0.85 ALDH1A1 (0.43) MAPTLMNATHRBTDP1JAK2
SCHEMBL6014260 0.85 LMNA (0.39) MAPTLMNATHRBTDP1JAK2
SCHEMBL6014272 0.85 LMNA (0.41) MAPTLMNATHRBTDP1JAK2
SCHEMBL6014270 0.85 LMNA (0.41) MAPTLMNATDP1JAK2JAK3
SCHEMBL6014229 0.84 ALDH1A1 (0.41) MAPTLMNATDP1JAK2JAK3
SCHEMBL6014309 0.84 TSHR (0.44) MAPTLMNATHRBTDP1JAK2
SCHEMBL6014299 0.83 LMNA (0.39) MAPTLMNATDP1JAK2JAK3
SCHEMBL6016092 0.83 ALDH1A1 (0.45) MAPTLMNATDP1JAK2JAK3
SCHEMBL6014275 0.83 DHODH (0.42) MAPTLMNATDP1JAK2JAK3

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