SCHEMBL6014261

SCHEMBL6014261

CCOC(=O)c1cc2cc3c(cc2nc1N(C(N)=O)c1ccccc1[N+](=O)[O-])OCO3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 10/20 0.41
MAPT P10636 8/20 0.41
KMT2A Q03164 4/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 5/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 3/20 0.38
THRB P10828 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
F2 P00734 1/20 0.38
RCE1 Q9Y256 1/20 0.38
HPGD P15428 4/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL6014304 0.86 ALDH1A1 (0.41) NPC1ALDH1A1MAPTKMT2AATM
SCHEMBL6014313 0.85 LMNA (0.40) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL6014293 0.84 MAPT (0.43) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL6014239 0.84 LMNA (0.43) NPC1ALDH1A1MAPTKMT2ALMNA
SCHEMBL6014266 0.83 LMNA (0.39) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL6014256 0.80 LMNA (0.43) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL6014303 0.80 LMNA (0.41) NPC1RAB9AALDH1A1MAPTATM
SCHEMBL6014273 0.80 LMNA (0.41) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL6014281 0.79 LMNA (0.42) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL6014277 0.79 LMNA (0.42) NPC1RAB9AALDH1A1MAPTKMT2A

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