SCHEMBL3472830

SCHEMBL3472830

CC(C)c1nn(C)c2nc(=O)n(C)c(=O)c-2[n+]1[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 10/20 0.43
KDM4C Q9H3R0 5/20 0.43
NPC1 O15118 4/20 0.43
POLB P06746 4/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 4/20 0.43
GALK1 P51570 4/20 0.43
BLM P54132 4/20 0.43
NPSR1 Q6W5P4 4/20 0.43
ABL1 P00519 3/20 0.43
RIN1 Q13671 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
RAF1 P04049 3/20 0.43
MAP2K1 Q02750 3/20 0.43
LMNA P02545 3/20 0.43
MPI P34949 2/20 0.43
ATG4B Q9Y4P1 2/20 0.43
KDM4A O75164 2/20 0.43
TP53 P04637 2/20 0.43

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
SCHEMBL3474651 0.81 TDP2 (0.47) TDP2KDM4CNPC1POLBMAPT
SCHEMBL3472911 0.79 TDP2 (0.37) TDP2SMN1; SMN2TP53CYP1A2ALDH1A1
SCHEMBL3472094 0.77 TDP2 (0.43) TDP2KDM4CNPC1POLBMAPT
SCHEMBL3473787 0.74 TDP2 (0.51) TDP2KDM4CNPC1POLBMAPT
SCHEMBL3473513 0.71 TDP2 (0.54) TDP2KDM4CNPC1POLBMAPT
SCHEMBL13273085 0.71 HSF1 (0.40) TDP2KDM4CNPC1POLBMAPT
SCHEMBL13492890 0.70 TDP2 (0.55) TDP2KDM4CNPC1POLBMAPT
SCHEMBL3475005 0.70 TDP2 (0.56) TDP2KDM4CNPC1POLBMAPT
SCHEMBL3471256 0.69 HSF1 (0.54) TDP2KDM4CNPC1POLBMAPT
SCHEMBL3472489 0.69 TDP2 (0.57) TDP2KDM4CNPC1POLBMAPT

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-2010072807-A2 INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE FONDATION JEROME LEJEUNE (FR) 2010-07-01 WO disclosed
WO-2010072807-A2 INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE FONDATION JEROME LEJEUNE (FR) 2010-07-01 WO disclosed