SCHEMBL8535784

SCHEMBL8535784

CCCNc1nc2c(ncn2CCCCO)c(=O)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.65
HPRT1 P00492 3/20 0.49

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
SCHEMBL8536577 0.92 TK1 (0.61) TK1
SCHEMBL8538454 0.92 TK1 (0.54) TK1HPRT1
SCHEMBL8589183 0.87 TK1 (0.54) TK1
SCHEMBL8539824 0.85 TK1 (0.53) TK1
SCHEMBL8538102 0.81 HPRT1 (0.46) TK1HPRT1
SCHEMBL26348863 0.80 KDM4E (0.47) TK1HPRT1
SCHEMBL1506775 0.79 TK1 (1.00) TK1
SCHEMBL16197990 0.78 TK1 (0.54) TK1HPRT1
SCHEMBL8152333 0.77 CTSL (0.61) TK1
SCHEMBL8536217 0.77 TK1 (0.80) 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