SCHEMBL8896087

SCHEMBL8896087

CC(=O)N1CNc2c1nc(N)[nH]c2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 8/20 0.46
NOS1 P29475 6/20 0.37
CASP7 P55210 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
PAH P00439 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
BLM P54132 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
PMP22 Q01453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
MEN1 O00255 1/20 0.34
RGS12 O14924 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
SCHEMBL7765227 0.82 HPRT1 (0.47) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL7253844 0.78 KDM4E (0.45) HPRT1KDM4EMAPTKMT2AALDH1A1
SCHEMBL2787048 0.78 HPRT1 (0.50) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL8537089 0.75 HPRT1 (0.45) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL3743947 0.74 HPRT1 (0.56) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL9739844 0.74 HPRT1 (0.60) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL1672180 0.74 HPRT1 (0.56) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL7209509 0.72 HPRT1 (0.44) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL21637016 0.72 HPRT1 (0.57) HPRT1NOS1NOS3NOS2
SCHEMBL9364441 0.72 HPRT1 (0.60) 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
US-5691307-A ANTITUMOR AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-11-25 US claimed