SCHEMBL11755358

SCHEMBL11755358

O=C1NCCCN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDA P32320 2/20 0.62
HPRT1 P00492 1/20 0.57
FBP1 P09467 2/20 0.53
UMPS P11172 5/20 0.50
DNPH1 O43598 1/20 0.50
ATIC P31939 2/20 0.47
P2RY2 P41231 2/20 0.47
LDHA P00338 1/20 0.47
P2RY6 Q15077 1/20 0.47
GART P22102 1/20 0.46

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
SCHEMBL11758791 1.00 CDA (0.62) CDAHPRT1FBP1UMPSDNPH1
SCHEMBL11753851 0.90 CDA (0.57) CDAP2RY2P2RY6
SCHEMBL11760463 0.88 P2RY2 (0.58) CDAP2RY2P2RY6
SCHEMBL11759467 0.83 CDA (0.67) CDAHPRT1UMPSP2RY6
SCHEMBL11178912 0.81 HPRT1 (0.53) CDAHPRT1FBP1UMPSDNPH1
SCHEMBL11760447 0.81 HPRT1 (0.53) CDAHPRT1FBP1UMPSDNPH1
SCHEMBL11755974 0.81 HPRT1 (0.53) CDAHPRT1FBP1UMPSDNPH1
SCHEMBL11754539 0.80 CDA (0.63) CDA
SCHEMBL11755145 0.79 CDA (0.94) CDA
SCHEMBL11756110 0.79 CDA (0.94) CDA

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-4017606-A CYTOSINE ARABINOSIDE AND HYDROGENATED PYRIMIDINE NUCLEOSIDES THE UPJOHN COMPANY (US) 1977-04-12 US disclosed