SCHEMBL3974076

SCHEMBL3974076

Nc1scc(-c2cccc([N+](=O)[O-])c2)c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
ALDH1A1 P00352 5/20 0.62
MAPK1 P28482 1/20 0.62
CNR1 P21554 1/20 0.46
PRKCZ Q05513 2/20 0.44
RAB9A P51151 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
HSD17B10 Q99714 2/20 0.42
MGLL Q99685 1/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
EIF4E P06730 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CSNK2A1 P68400 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3979142 0.90 ALDH1A1 (0.65) MAPTALDH1A1MAPK1PRKCZHSD17B10
SCHEMBL3976440 0.86 PRKCZ (0.59) MAPTALDH1A1MAPK1PRKCZRAB9A
SCHEMBL3975200 0.84 PRKCZ (0.48) MAPTALDH1A1MAPK1PRKCZRAB9A
SCHEMBL3975696 0.81 PRKCZ (0.45) MAPTALDH1A1MAPK1PRKCZRAB9A
SCHEMBL3980156 0.81 PRKCZ (0.45) MAPTALDH1A1CNR1PRKCZRAB9A
SCHEMBL3972011 0.80 PRKCZ (0.57) MAPTALDH1A1MAPK1PRKCZRAB9A
SCHEMBL3974360 0.79 PRKCZ (0.62) MAPTALDH1A1MAPK1PRKCZRAB9A
SCHEMBL3972275 0.78 RORB (0.49) MAPTALDH1A1PRKCZHSD17B10LMNA
SCHEMBL3979210 0.78 MAPT (0.69) MAPTALDH1A1MAPK1CNR1PRKCZ
SCHEMBL3975112 0.77 PRKCZ (0.50) MAPTALDH1A1PRKCZHSD17B10LMNA

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