SCHEMBL9569464

SCHEMBL9569464

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 10/20 0.58
PNP P00491 1/20 0.31
USP2 O75604 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NOS1 P29475 1/20 0.31
PAH P00439 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9569709 0.89 HPRT1 (0.59) HPRT1PNPUSP2CASP7HSD17B10
SCHEMBL9569639 0.88 HPRT1 (0.56) HPRT1PNP
SCHEMBL9569481 0.86 HPRT1 (0.52) HPRT1PNPUSP2CASP7HSD17B10
SCHEMBL9295431 0.82 HPRT1 (0.62) HPRT1PNPNOS1
SCHEMBL6833417 0.81 HPRT1 (0.58) HPRT1PNPNOS1
SCHEMBL9294933 0.81 HPRT1 (0.62) HPRT1PNP
Phosphoric Acid SCHEMBL1664405 0.80 HPRT1 (0.62) HPRT1PNP
SCHEMBL571080 0.78 HPRT1 (0.60) HPRT1USP2CASP7HSD17B10NOS1
SCHEMBL9569647 0.78 HPRT1 (0.59) HPRT1PNPALDH1A1BLMKMT2A
SCHEMBL10920053 0.78 HPRT1 (0.56) HPRT1USP2CASP7HSD17B10NOS1

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-0532423-A1 Novel unsaturated acyclic phosphonate derivatives of purine and pyrimidine MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-17 EP claimed