SCHEMBL3471235

SCHEMBL3471235

Cn1nc(C2CCCCC2)nc2c(=O)n(C3CCCCC3)c(=O)nc1-2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 8/20 0.74
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 2/20 0.39
ABL1 P00519 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
MPI P34949 2/20 0.39
RAB9A P51151 2/20 0.39
GALK1 P51570 2/20 0.39
BLM P54132 2/20 0.39
RIN1 Q13671 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATG4B Q9Y4P1 2/20 0.39
RAF1 P04049 2/20 0.39
MAP2K1 Q02750 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
APAF1 O14727 1/20 0.39
KDM4A O75164 1/20 0.39

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
SCHEMBL3473714 0.85 TDP2 (1.00) TDP2SMN1; SMN2LMNANPC1ABL1
SCHEMBL3471025 0.85 TDP2 (0.56) TDP2SMN1; SMN2LMNANPC1ABL1
SCHEMBL3473636 0.81 TDP2 (0.48) TDP2SMN1; SMN2LMNANPC1ABL1
SCHEMBL3472625 0.77 TDP2 (1.00) TDP2SMN1; SMN2LMNANPC1ABL1
SCHEMBL3471912 0.74 TDP2 (0.66) TDP2SMN1; SMN2LMNANPC1ABL1
SCHEMBL3471299 0.73 TDP2 (0.43) TDP2SMN1; SMN2LMNACRHBPCRHR2
SCHEMBL3476272 0.70 TDP2 (0.40) TDP2SMN1; SMN2MAPTCRHBPCRHR2
SCHEMBL3474700 0.70 TDP2 (0.37) TDP2SMN1; SMN2TP53CRHBPCRHR2
SCHEMBL3474307 0.69 TDP2 (0.36) TDP2SMN1; SMN2L3MBTL1TP53CRHBP
SCHEMBL3471924 0.68 TDP2 (0.85) TDP2SMN1; SMN2LMNANPC1ABL1

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