SCHEMBL3474479

SCHEMBL3474479

Cn1nc(CCc2ccccc2)nc2c(=O)n(C)c(=O)nc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 14/20 1.00
KDM4C Q9H3R0 7/20 0.79
POLB P06746 5/20 0.67
MAPT P10636 5/20 0.67
RAB9A P51151 5/20 0.67
GALK1 P51570 5/20 0.67
BLM P54132 5/20 0.67
NPSR1 Q6W5P4 5/20 0.67
NPC1 O15118 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
L3MBTL1 Q9Y468 4/20 0.67
KDM4E B2RXH2 4/20 0.67
THRB P10828 4/20 0.67
HTT P42858 4/20 0.67
ATG4B Q9Y4P1 3/20 0.67
RECQL P46063 3/20 0.67
ABL1 P00519 2/20 0.67
MPI P34949 2/20 0.67
RIN1 Q13671 2/20 0.67
DUSP3 P51452 2/20 0.67

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
SCHEMBL13272610 0.88 TDP2 (1.00) TDP2KDM4CPOLBMAPTRAB9A
SCHEMBL15032586 0.80 TDP2 (1.00) TDP2KDM4CPOLBMAPTRAB9A
SCHEMBL2180811 0.77 TDP2 (0.77) TDP2KDM4CPOLBMAPTRAB9A
SCHEMBL13272699 0.76 TDP2 (0.70) TDP2KDM4CPOLBMAPTRAB9A
SCHEMBL3471911 0.75 TDP2 (0.77) TDP2KDM4CPOLBMAPTRAB9A
SCHEMBL2183740 0.75 TDP2 (1.00) TDP2KDM4CPOLBMAPTRAB9A
Hydrochloric Acid SCHEMBL3471096 0.75 TDP2 (0.68) TDP2KDM4CPOLBMAPTRAB9A
SCHEMBL3471919 0.74 TDP2 (0.75) TDP2KDM4CPOLBMAPTRAB9A
SCHEMBL3471993 0.73 TDP2 (0.73) TDP2KDM4CPOLBMAPTRAB9A
SCHEMBL14020030 0.73 TDP2 (0.73) TDP2KDM4CPOLBMAPTRAB9A

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