SCHEMBL8539795

SCHEMBL8539795

O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CC(O)CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.69

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
SCHEMBL8542079 0.85 TK1 (0.52) TK1
SCHEMBL8535266 0.84 TK1 (0.85) TK1
SCHEMBL1506775 0.81 TK1 (1.00) TK1
SCHEMBL29154437 0.80 MEN1 (0.60) TK1
SCHEMBL29154439 0.80 MEN1 (0.60) TK1
SCHEMBL7688901 0.80 TK1 (0.70) TK1
SCHEMBL8538102 0.79 HPRT1 (0.46) TK1
SCHEMBL23710631 0.77 HPRT1 (0.67) TK1
SCHEMBL24420506 0.77 HPRT1 (0.67) TK1
SCHEMBL7142936 0.77 HPRT1 (0.67) TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794781-A4 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIV MASSACHUSETTS MEDICAL (US) 1998-04-22 EP disclosed
EP-0794781-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-09-17 EP disclosed
WO-1996020711-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-07-11 WO disclosed