SCHEMBL3979943

SCHEMBL3979943

Nc1scc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 4/20 0.61
MAPK1 P28482 3/20 0.55
POLB P06746 2/20 0.55
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 4/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
SRD5A2 P31213 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL3976440 0.87 PRKCZ (0.59) PRKCZMAPK1POLBALDH1A1LMNA
SCHEMBL3979142 0.86 ALDH1A1 (0.65) PRKCZMAPK1POLBALDH1A1LMNA
SCHEMBL3980970 0.84 ALDH1A1 (0.65) PRKCZMAPK1ALDH1A1LMNAMEN1
SCHEMBL4963547 0.83 PRKCZ (0.67) PRKCZMAPK1ALDH1A1LMNAMEN1
SCHEMBL3981694 0.81 PRKCZ (0.62) PRKCZMAPK1POLBALDH1A1LMNA
SCHEMBL3974317 0.81 PRKCZ (0.54) PRKCZMAPK1ALDH1A1LMNAMEN1
SCHEMBL3976107 0.81 PRKCZ (0.58) PRKCZMAPK1ALDH1A1LMNAMEN1
SCHEMBL3976339 0.81 PRKCZ (0.58) PRKCZMAPK1ALDH1A1LMNAMEN1
SCHEMBL3973230 0.77 PRKCZ (0.60) PRKCZMAPK1ALDH1A1LMNAMEN1
SCHEMBL11518208 0.76 PRKCZ (1.00) PRKCZMAPK1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009049362-A1 A1 ADENOSINE RECEPTOR ALLOSTERIC ENHANCERS MONASH UNIVERSITY (AU) 2009-04-23 WO claimed
WO-2009049362-A1 A1 ADENOSINE RECEPTOR ALLOSTERIC ENHANCERS MONASH UNIVERSITY (AU) 2009-04-23 WO disclosed
WO-2009049362-A1 A1 ADENOSINE RECEPTOR ALLOSTERIC ENHANCERS MONASH UNIVERSITY (AU) 2009-04-23 WO disclosed