SCHEMBL6014254

SCHEMBL6014254

CCOC(=O)c1cc2cc3c(cc2nc1-c1cccc([N+](=O)[O-])c1NC(N)=O)OCO3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
MAPT P10636 6/20 0.45
KMT2A Q03164 6/20 0.42
ATM Q13315 1/20 0.42
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 7/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 3/20 0.39
GALR2 O43603 1/20 0.39
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39
XBP1 P17861 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 5/20 0.37
MEN1 O00255 5/20 0.37
THRB P10828 2/20 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
SCHEMBL6014299 0.86 LMNA (0.39) ALDH1A1MAPTKMT2AATMNPC1
SCHEMBL6014307 0.86 ALDH1A1 (0.42) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL6014286 0.83 SMN1; SMN2 (0.46) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL6014260 0.81 LMNA (0.39) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL6014251 0.78 ALDH1A1 (0.43) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL6014275 0.78 DHODH (0.42) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL6014270 0.78 LMNA (0.41) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL6014272 0.78 LMNA (0.41) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL6014234 0.77 MAPT (0.40) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL6014309 0.77 TSHR (0.44) ALDH1A1MAPTKMT2ANPC1RAB9A

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