SCHEMBL6014293

SCHEMBL6014293

CCOC(=O)c1cc2cc3c(cc2nc1N(C(N)=O)c1ccc([N+](=O)[O-])cc1)OCO3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
MAOB P27338 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AR P10275 1/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
MEN1 O00255 2/20 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
SCHEMBL6014256 0.89 LMNA (0.43) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6014277 0.88 LMNA (0.42) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6014281 0.88 LMNA (0.42) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6014228 0.87 LMNA (0.42) MAPTSMN1; SMN2NPC1LMNATDP1
SCHEMBL6014231 0.87 LMNA (0.42) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6014312 0.87 TSHR (0.44) MAPTSMN1; SMN2MAOBNPC1RAB9A
SCHEMBL6014239 0.87 LMNA (0.43) MAPTSMN1; SMN2NPC1LMNATDP1
SCHEMBL6016093 0.86 ALDH1A1 (0.45) MAPTSMN1; SMN2MAOBNPC1RAB9A
SCHEMBL6014282 0.86 RAB9A (0.41) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6014250 0.86 LMNA (0.41) MAPTSMN1; SMN2NPC1RAB9ALMNA

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