SCHEMBL3979142

SCHEMBL3979142

Nc1scc(-c2cccc([N+](=O)[O-])c2)c1C(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
MAPT P10636 5/20 0.65
MAPK1 P28482 2/20 0.65
HDAC2 Q92769 1/20 0.50
TP53 P04637 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
PRKCZ Q05513 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
F12 P00748 1/20 0.46
MAPK14 Q16539 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL3974076 0.90 MAPT (0.62) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL3979943 0.86 PRKCZ (0.61) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL3980970 0.81 ALDH1A1 (0.65) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL3976253 0.80 PRKCZ (0.50) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL3976445 0.80 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL3975112 0.80 PRKCZ (0.50) ALDH1A1MAPTMEN1KMT2APRKCZ
SCHEMBL8290552 0.79 MAPT (1.00) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL3975901 0.77 ALDH1A1 (0.73) ALDH1A1MAPTMAPK1HDAC2MEN1
SCHEMBL3980569 0.77 ADORA1 (0.61) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL31657792 0.74 POLB (0.73) ALDH1A1MAPTMAPK1HDAC2TP53

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