SCHEMBL27788397

SCHEMBL27788397

NC(=O)c1nc(-c2ccccc2)nn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ADORA3 P0DMS8 2/20 0.44
KMT2A Q03164 1/20 0.43
RPA1 P27694 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
RIPK2 O43353 1/20 0.43
SRC P12931 1/20 0.43
BRAF P15056 1/20 0.43
KDR P35968 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL9781038 0.79 ADORA3 (0.52) SMN1; SMN2ALDH1A1HPGDHDAC1HDAC6
SCHEMBL25434690 0.79 RCE1 (0.48) SMN1; SMN2ALDH1A1HPGDADORA3KMT2A
SCHEMBL14736860 0.77 HDAC1 (0.54) SMN1; SMN2HDAC1HDAC6ADORA3KMT2A
SCHEMBL21471362 0.74 KDM4A (0.47) SMN1; SMN2HDAC1HDAC6RPA1NR1H2
SCHEMBL2339443 0.72 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1NR1H2NR1H3GAA
SCHEMBL3390008 0.71 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1HPGDKMT2AL3MBTL1
SCHEMBL20994591 0.70 NPC1 (0.43) SMN1; SMN2HDAC1HDAC6NR1H2NR1H3
SCHEMBL14007393 0.70 NPC1 (0.52) SMN1; SMN2L3MBTL1NR1H2NR1H3
SCHEMBL14736709 0.70 HDAC1 (0.53) SMN1; SMN2HDAC1HDAC6
SCHEMBL13936045 0.69 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1NR1H2NR1H3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104756995-A BROADLEAF PERENNIAL WEED CONTROL AGENT FOR GRASS, AND METHOD FOR CONTROLLING BROADLEAF PERENNIAL WEEDS IN GRASS NIPPON SODA CO 2015-07-08 CN disclosed
CN-101600349-A Broad-leaved perennial weed control agent for lawn and method for controlling broad-leaved perennial weed for lawn NIPPON SODA CO (JP) 2009-12-09 CN disclosed