SCHEMBL3471027

SCHEMBL3471027

Cc1nc2c(=O)n(-c3ccccc3)c(=O)nc-2n(C)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 12/20 0.62
KDM4C Q9H3R0 7/20 0.58
LMNA P02545 3/20 0.58
MAPT P10636 3/20 0.58
RAF1 P04049 2/20 0.58
MAP2K1 Q02750 2/20 0.58
APAF1 O14727 2/20 0.58
NPC1 O15118 2/20 0.58
KDM4A O75164 2/20 0.58
POLB P06746 2/20 0.58
RAB9A P51151 2/20 0.58
GALK1 P51570 2/20 0.58
BLM P54132 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
ATG4B Q9Y4P1 2/20 0.58
S1PR2 O95136 1/20 0.58
ABL1 P00519 1/20 0.58
TP53 P04637 1/20 0.58
MPI P34949 1/20 0.58
SMAD3 P84022 1/20 0.58

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
SCHEMBL3471238 0.85 TDP2 (0.80) TDP2KDM4CLMNAMAPTRAF1
SCHEMBL3473639 0.83 TDP2 (0.58) TDP2KDM4CLMNAMAPTRAF1
SCHEMBL3471919 0.81 TDP2 (0.75) TDP2KDM4CLMNAMAPTRAF1
SCHEMBL3475916 0.76 TDP2 (0.67) TDP2KDM4CLMNAMAPTRAF1
SCHEMBL2180986 0.74 TDP2 (1.00) TDP2KDM4CLMNAMAPTRAF1
SCHEMBL3474702 0.72 TDP2 (0.46) TDP2KDM4CLMNAMAPTRAF1
SCHEMBL3470387 0.72 TDP2 (0.52) TDP2KDM4CLMNAMAPTRAF1
SCHEMBL14450314 0.72 TDP2 (0.56) TDP2KDM4CLMNAMAPTRAF1
SCHEMBL3474309 0.71 TDP2 (0.46) TDP2KDM4CLMNAMAPTRAF1
SCHEMBL29603876 0.70 NSD2 (1.00) TDP2LMNAMAPTNPC1RAB9A

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 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