SCHEMBL7745028

SCHEMBL7745028

Nc1nc2c(c(=O)[nH]1)NCN2CC(CO)CO.[NaH]

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 11/20 0.64
NOS1 P29475 3/20 0.34
USP2 O75604 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PAH P00439 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL417578 0.91 HPRT1 (0.60) HPRT1NOS1USP2CASP7HSD17B10
Hydrochloric Acid SCHEMBL10507812 0.90 HPRT1 (0.59) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL9172629 0.88 HPRT1 (0.69) HPRT1
SCHEMBL7197096 0.87 HPRT1 (0.57) HPRT1NOS1USP2CASP7HSD17B10
Phosphoric Acid SCHEMBL571369 0.87 HPRT1 (0.64) HPRT1NOS1
SCHEMBL7142937 0.87 HPRT1 (0.64) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL146837 0.86 HPRT1 (0.58) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL10919076 0.86 HPRT1 (0.62) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL10918859 0.85 HPRT1 (0.61) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL5181365 0.85 HPRT1 (0.61) HPRT1NOS1USP2CASP7HSD17B10

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-1019404-A4 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMW SCIENT IND RES ORG (AU) 2001-07-04 EP disclosed
EP-1019404-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-07-19 EP disclosed
WO-1999012927-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-03-18 WO disclosed