SCHEMBL9116476

SCHEMBL9116476

Nc1nc2c(c(=O)[nH]1)NCN2CCC(CO)C(O)CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 9/20 0.54
NOS1 P29475 3/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
PAH P00439 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
BLM P54132 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
PMP22 Q01453 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
RGS12 O14924 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL711245 0.92 HPRT1 (0.55) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL571080 0.87 HPRT1 (0.60) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL146837 0.85 HPRT1 (0.58) HPRT1NOS1CASP7HSD17B10USP2
Water SCHEMBL10414024 0.84 HPRT1 (0.57) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL7192798 0.84 HPRT1 (0.57) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL7197096 0.84 HPRT1 (0.57) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL10916964 0.83 HPRT1 (0.56) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL10920053 0.83 HPRT1 (0.56) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL10919076 0.83 HPRT1 (0.62) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL9663134 0.82 HPRT1 (0.55) HPRT1NOS1CASP7HSD17B10USP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995022330-A1 ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-08-24 WO disclosed