SCHEMBL3471912

SCHEMBL3471912

Cn1nc(Cc2ccccc2)nc2c(=O)n(C3CCCCC3)c(=O)nc1-2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 8/20 0.66
KDM4C Q9H3R0 2/20 0.66
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ATM Q13315 1/20 0.41
RAF1 P04049 1/20 0.40
MAP2K1 Q02750 1/20 0.40
CRHBP P24387 3/20 0.40
CRHR2 Q13324 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ABL1 P00519 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
MPI P34949 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
SCHEMBL13272610 0.80 TDP2 (1.00) TDP2KDM4CMEN1KMT2ARAF1
SCHEMBL3471919 0.79 TDP2 (0.75) TDP2KDM4CKMT2ARAF1MAP2K1
SCHEMBL3471025 0.77 TDP2 (0.56) TDP2KDM4CGAAALOX15MEN1
SCHEMBL3471235 0.74 TDP2 (0.74) TDP2KDM4CGAAALOX15MEN1
SCHEMBL3473636 0.73 TDP2 (0.48) TDP2KDM4CGAAALOX15MEN1
SCHEMBL3474479 0.69 TDP2 (1.00) TDP2KDM4CMEN1KMT2ARAF1
SCHEMBL3471911 0.69 TDP2 (0.77) TDP2KDM4CMEN1KMT2ARAF1
SCHEMBL3471993 0.67 TDP2 (0.73) TDP2KDM4CMEN1KMT2ARAF1
SCHEMBL3476272 0.64 TDP2 (0.40) TDP2GAAALOX15MEN1KMT2A
SCHEMBL3474700 0.64 TDP2 (0.37) TDP2GAAALOX15MEN1KMT2A

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