SCHEMBL8538102

SCHEMBL8538102

CCCNc1nc2c(ncn2CC(O)CO)c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 6/20 0.46
TK1 P04183 1/20 0.43
AHCY P23526 1/20 0.42
ADORA2A P29274 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
BLM P54132 1/20 0.42
VCP P55072 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
TSHR P16473 1/20 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
SCHEMBL8535178 0.92 XDH (0.45) HPRT1TK1
SCHEMBL8538454 0.84 TK1 (0.54) HPRT1TK1
SCHEMBL29154437 0.83 MEN1 (0.60) HPRT1TK1AHCYADORA2AMEN1
SCHEMBL29154439 0.83 MEN1 (0.60) HPRT1TK1AHCYADORA2AMEN1
SCHEMBL8535784 0.81 TK1 (0.65) HPRT1TK1
SCHEMBL8539795 0.79 TK1 (0.69) TK1
SCHEMBL23710631 0.77 HPRT1 (0.67) HPRT1TK1MEN1KMT2AALDH1A1
SCHEMBL7142936 0.77 HPRT1 (0.67) HPRT1TK1MEN1KMT2AALDH1A1
SCHEMBL24420506 0.77 HPRT1 (0.67) HPRT1TK1MEN1KMT2AALDH1A1
SCHEMBL26348863 0.77 KDM4E (0.47) HPRT1TK1ALDH1A1

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