Sugi Predict

Sugi Predict / Compounds / SCHEMBL8535178

SCHEMBL8535178

SCHEMBL8535178

CCCCCCCCCCCCNc1nc2c(ncn2CC(O)CO)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.45
▸ GPR84 Q9NQS5 1/20 0.43
▸ TK1 P04183 1/20 0.42
▸ HPRT1 P00492 3/20 0.41

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
SCHEMBL8538102 0.92 HPRT1 (0.46) TK1HPRT1
SCHEMBL8539824 0.85 TK1 (0.53) XDHGPR84TK1
SCHEMBL8536577 0.83 TK1 (0.61) XDHTK1
SCHEMBL5179771 0.83 MEN1 (0.61) XDHGPR84TK1HPRT1
SCHEMBL8589183 0.82 TK1 (0.54) XDHTK1
SCHEMBL8536573 0.79 XDH (0.47) XDHGPR84
SCHEMBL8538454 0.76 TK1 (0.54) TK1HPRT1
SCHEMBL8539795 0.76 TK1 (0.69) TK1
SCHEMBL8535784 0.75 TK1 (0.65) TK1HPRT1
SCHEMBL16020664 0.75 CYP3A4 (0.51) HPRT1

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