SCHEMBL8539824

SCHEMBL8539824

CCCCCCCCCCCCNc1nc2c(ncn2CCO)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.53
XDH P47989 2/20 0.48
CTSL P07711 1/20 0.47
GPR84 Q9NQS5 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
SCHEMBL8536577 0.94 TK1 (0.61) TK1XDHCTSL
SCHEMBL8589183 0.91 TK1 (0.54) TK1XDHCTSL
SCHEMBL8538454 0.91 TK1 (0.54) TK1
SCHEMBL8535784 0.85 TK1 (0.65) TK1
SCHEMBL8535178 0.85 XDH (0.45) TK1XDHGPR84
SCHEMBL5179771 0.84 MEN1 (0.61) TK1XDHGPR84
SCHEMBL16197990 0.79 TK1 (0.54) TK1
SCHEMBL8536573 0.78 XDH (0.47) XDHGPR84
SCHEMBL10047154 0.78 XDH (0.40) XDH
SCHEMBL16020718 0.77 POLB (0.49)

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