SCHEMBL3473787

SCHEMBL3473787

Cn1nc(C2CC2)[n+]([O-])c2c(=O)n(C)c(=O)nc1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 10/20 0.51
KDM4C Q9H3R0 5/20 0.41
NPC1 O15118 3/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
GALK1 P51570 3/20 0.41
BLM P54132 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
RAF1 P04049 3/20 0.41
MAP2K1 Q02750 3/20 0.41
ABL1 P00519 2/20 0.41
MPI P34949 2/20 0.41
RIN1 Q13671 2/20 0.41
ATG4B Q9Y4P1 2/20 0.41
S1PR2 O95136 2/20 0.41
LMNA P02545 2/20 0.41
SMAD3 P84022 2/20 0.41

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
SCHEMBL3473513 0.93 TDP2 (0.54) TDP2KDM4CNPC1POLBMAPT
SCHEMBL3474651 0.79 TDP2 (0.47) TDP2KDM4CNPC1POLBMAPT
SCHEMBL13273085 0.79 HSF1 (0.40) TDP2KDM4CNPC1POLBMAPT
SCHEMBL3472830 0.74 TDP2 (0.43) TDP2KDM4CNPC1POLBMAPT
SCHEMBL3472094 0.74 TDP2 (0.43) TDP2KDM4CNPC1POLBMAPT
SCHEMBL13492890 0.69 TDP2 (0.55) TDP2KDM4CNPC1POLBMAPT
SCHEMBL3472625 0.68 TDP2 (1.00) TDP2KDM4CNPC1POLBMAPT
SCHEMBL3475005 0.68 TDP2 (0.56) TDP2KDM4CNPC1POLBMAPT
SCHEMBL3471256 0.67 HSF1 (0.54) TDP2KDM4CNPC1POLBMAPT
SCHEMBL3476272 0.67 TDP2 (0.40) TDP2MAPTSMN1; SMN2KDM4ESIRT1

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 3 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 claimed
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