SCHEMBL8529902

SCHEMBL8529902

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 10/20 0.58
NOS1 P29475 4/20 0.33
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 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PNP P00491 1/20 0.32

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
SCHEMBL10510178 0.88 HPRT1 (0.54) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL146837 0.85 HPRT1 (0.58) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL5250159 0.84 HPRT1 (0.60) HPRT1NOS1PNP
SCHEMBL571080 0.84 HPRT1 (0.60) HPRT1NOS1USP2CASP7HSD17B10
Water SCHEMBL10414024 0.84 HPRT1 (0.57) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL7192798 0.84 HPRT1 (0.57) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL7197096 0.84 HPRT1 (0.57) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL10545983 0.83 HPRT1 (0.54) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL10920053 0.82 HPRT1 (0.56) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL10916964 0.82 HPRT1 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827960-A1 Process for producing purine derivatives Ajinomoto Co., Inc. (JP) 1998-03-11 EP disclosed