SCHEMBL8798202

SCHEMBL8798202

CN1c2nc(N)[nH]c(=O)c2NC1Br

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 5/20 0.49
NOS1 P29475 6/20 0.38
USP2 O75604 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PAH P00439 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
PNP P00491 1/20 0.34

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
SCHEMBL2982031 0.81 HPRT1 (0.53) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL1765839 0.81 HPRT1 (0.41) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL10509301 0.72 HPRT1 (0.50) HPRT1MAPTKDM4EALDH1A1KMT2A
SCHEMBL2128394 0.71 HPRT1 (0.49) HPRT1NOS1PNP
SCHEMBL9799100 0.70 HPRT1 (0.48) HPRT1NOS1NOS3NOS2PNP
SCHEMBL10508430 0.70 HPRT1 (0.48) HPRT1MAPTPNP
SCHEMBL9054339 0.70 HPRT1 (0.78) HPRT1PNP
SCHEMBL9798192 0.70 HPRT1 (0.50) HPRT1NOS1NOS3NOS2PNP
SCHEMBL10507662 0.70 HPRT1 (0.50) HPRT1MAPTKDM4EALDH1A1HPGD
SCHEMBL10737422 0.69 HPRT1 (0.58) 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-0775142-A1 SUBSTITUTED O6 -BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1997-05-28 EP claimed