SCHEMBL3473636

SCHEMBL3473636

CC(C)c1nc2c(=O)n(C3CCCCC3)c(=O)nc-2n(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 9/20 0.48
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
ABL1 P00519 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
MPI P34949 2/20 0.38
RAB9A P51151 2/20 0.38
GALK1 P51570 2/20 0.38
BLM P54132 2/20 0.38
RIN1 Q13671 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATG4B Q9Y4P1 2/20 0.38
RAF1 P04049 2/20 0.38
MAP2K1 Q02750 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
APAF1 O14727 1/20 0.38

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
SCHEMBL3474700 0.87 TDP2 (0.37) TDP2SMN1; SMN2TP53MEN1KMT2A
SCHEMBL3474307 0.86 TDP2 (0.36) TDP2SMN1; SMN2L3MBTL1TP53MEN1
SCHEMBL3471025 0.84 TDP2 (0.56) TDP2SMN1; SMN2NPC1ABL1POLB
SCHEMBL3471235 0.81 TDP2 (0.74) TDP2SMN1; SMN2NPC1ABL1POLB
SCHEMBL3473947 0.76 TDP2 (0.65) TDP2SMN1; SMN2NPC1ABL1POLB
SCHEMBL3472911 0.73 TDP2 (0.37) TDP2SMN1; SMN2TP53MEN1KMT2A
SCHEMBL3471912 0.73 TDP2 (0.66) TDP2SMN1; SMN2NPC1ABL1POLB
SCHEMBL3473639 0.70 TDP2 (0.58) TDP2SMN1; SMN2NPC1ABL1POLB
SCHEMBL3476272 0.69 TDP2 (0.40) TDP2SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3471299 0.67 TDP2 (0.43) TDP2SMN1; SMN2LMNAMEN1KMT2A

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