SCHEMBL3471025

SCHEMBL3471025

Cc1nc2c(=O)n(C3CCCCC3)c(=O)nc-2n(C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 9/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 3/20 0.56
POLB P06746 3/20 0.56
MAPT P10636 3/20 0.56
RAB9A P51151 3/20 0.56
GALK1 P51570 3/20 0.56
BLM P54132 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
KDM4C Q9H3R0 3/20 0.56
RAF1 P04049 3/20 0.56
MAP2K1 Q02750 3/20 0.56
LMNA P02545 3/20 0.56
ABL1 P00519 2/20 0.56
MPI P34949 2/20 0.56
RIN1 Q13671 2/20 0.56
ATG4B Q9Y4P1 2/20 0.56
S1PR2 O95136 2/20 0.56
SMAD3 P84022 2/20 0.56

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
SCHEMBL3471235 0.85 TDP2 (0.74) TDP2SMN1; SMN2NPC1POLBMAPT
SCHEMBL3473636 0.84 TDP2 (0.48) TDP2SMN1; SMN2NPC1POLBMAPT
SCHEMBL3471912 0.77 TDP2 (0.66) TDP2SMN1; SMN2NPC1POLBMAPT
SCHEMBL3476272 0.73 TDP2 (0.40) TDP2SMN1; SMN2MAPTGAAALOX15
SCHEMBL3474700 0.73 TDP2 (0.37) TDP2SMN1; SMN2TP53GAAALOX15
SCHEMBL2180986 0.73 TDP2 (1.00) TDP2SMN1; SMN2NPC1POLBMAPT
SCHEMBL3474307 0.72 TDP2 (0.36) TDP2SMN1; SMN2L3MBTL1TP53GAA
SCHEMBL3471299 0.70 TDP2 (0.43) TDP2SMN1; SMN2LMNAGAAALOX15
SCHEMBL3472911 0.70 TDP2 (0.37) TDP2SMN1; SMN2TP53GAAALOX15
SCHEMBL3472625 0.63 TDP2 (1.00) TDP2SMN1; SMN2NPC1POLBMAPT

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