SCHEMBL6014309

SCHEMBL6014309

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
SMN1; SMN2 Q16637 6/20 0.41
LMNA P02545 5/20 0.41
MAPT P10636 5/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
ALDH1A1 P00352 7/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 4/20 0.39
POLB P06746 2/20 0.39
DHODH Q02127 1/20 0.39
HTT P42858 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
RAB9A P51151 4/20 0.37
KDM4E B2RXH2 5/20 0.37
CASP1 P29466 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
SCHEMBL6014251 0.91 ALDH1A1 (0.43) TSHRSMN1; SMN2LMNAMAPTNPSR1
SCHEMBL6014272 0.90 LMNA (0.41) TSHRSMN1; SMN2LMNAMAPTNPSR1
SCHEMBL6014270 0.90 LMNA (0.41) TSHRSMN1; SMN2LMNAMAPTNPSR1
SCHEMBL6014229 0.89 ALDH1A1 (0.41) TSHRSMN1; SMN2LMNAMAPTNPSR1
SCHEMBL6014227 0.89 MAPT (0.40) TSHRLMNAMAPTNPSR1TDP1
SCHEMBL6014258 0.89 L3MBTL1 (0.39) TSHRSMN1; SMN2LMNAMAPTNPSR1
SCHEMBL6016092 0.89 ALDH1A1 (0.45) TSHRSMN1; SMN2LMNAMAPTNPSR1
SCHEMBL6014275 0.89 DHODH (0.42) TSHRSMN1; SMN2LMNAMAPTNPSR1
SCHEMBL6014286 0.86 SMN1; SMN2 (0.46) SMN1; SMN2LMNAMAPTNPSR1TDP1
SCHEMBL6014234 0.84 MAPT (0.40) TSHRSMN1; SMN2LMNAMAPTNPSR1

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