SCHEMBL13801686

SCHEMBL13801686

COc1ncnc2c(CN3CC(O)[C@@H](CSCc4ccccc4)C3)n(C3CCCCO3)nc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTAP Q13126 13/20 0.47
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD1 P21728 1/20 0.32

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
SCHEMBL4737297 1.00 MTAP (0.47) MTAPNPC1RAB9ASMN1; SMN2DRD1
SCHEMBL4737296 0.89 MTAP (0.58) MTAP
SCHEMBL13801684 0.89 MTAP (0.58) MTAP
SCHEMBL4736667 0.85 PNP (0.34) MTAPDRD1
SCHEMBL12715593 0.85 PNP (0.34) MTAPDRD1
SCHEMBL4751248 0.75 PDCD1 (0.38) DRD1
SCHEMBL1573414 0.70 MTAP (0.49) MTAPNPC1RAB9ASMN1; SMN2
SCHEMBL4736602 0.67 CYP2C19 (0.41) NPC1RAB9ASMN1; SMN2DRD1
SCHEMBL4736590 0.66 CYP2C19 (0.37) NPC1RAB9ASMN1; SMN2DRD1
SCHEMBL24063045 0.64 MTAP (1.00) MTAP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553839-B2 5h-pyrrolo[3,2-D] pyrimidine inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2009-06-30 US disclosed