SCHEMBL8355197

SCHEMBL8355197

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)nc(C(=O)c5ccccc5)nc43)[C@@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.58
NT5E P21589 19/20 0.56

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
SCHEMBL1895610 0.88 TYMP (0.60) TYMPNT5E
SCHEMBL1895609 0.88 TYMP (0.60) TYMPNT5E
SCHEMBL30262593 0.88 NT5E (0.67) NT5E
SCHEMBL19949285 0.88 NT5E (0.67) NT5E
SCHEMBL2337526 0.85 TYMP (0.48) TYMPNT5E
SCHEMBL12642132 0.85 TYMP (0.57) TYMPNT5E
SCHEMBL29799117 0.85 NT5E (0.65) TYMPNT5E
SCHEMBL7895839 0.82 TYMP (0.69) TYMPNT5E
SCHEMBL8930456 0.81 TYMP (0.58) TYMPNT5E
SCHEMBL10585039 0.81 NT5E (0.74) NT5E

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
WO-1999029702-A2 METHOD FOR SYNTHESIZING 9-(2,3-DIDEOXY-2-FLUORO-β-D-THREO-PENTOFURANOSYL)ADENINE (β-FddA) THE GOVERNMENT OF THE UNITED STATES OF AMERICA REPPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-06-17 WO disclosed