SCHEMBL3976440

SCHEMBL3976440

Nc1scc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 2/20 0.59
MAPK1 P28482 2/20 0.46
POLB P06746 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
PGR P06401 1/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
SRD5A2 P31213 1/20 0.42
ADORA1 P30542 3/20 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
SCHEMBL3974360 0.88 PRKCZ (0.62) PRKCZMAPK1LMNAMAPTALDH1A1
SCHEMBL3979943 0.87 PRKCZ (0.61) PRKCZMAPK1POLBCA12CA1
SCHEMBL3974076 0.86 MAPT (0.62) PRKCZMAPK1LMNAMAPTALDH1A1
SCHEMBL3974298 0.82 PRKCZ (0.59) PRKCZMAPK1LMNAMAPTALDH1A1
SCHEMBL3976906 0.82 PRKCZ (0.55) PRKCZMAPK1LMNAMAPTALDH1A1
SCHEMBL3972589 0.82 PRKCZ (0.55) PRKCZMAPK1MAPTALDH1A1ADORA1
SCHEMBL3976107 0.81 PRKCZ (0.58) PRKCZMAPK1LMNAMAPTALDH1A1
SCHEMBL3972011 0.81 PRKCZ (0.57) PRKCZMAPK1POLBLMNAMAPT
SCHEMBL4963547 0.81 PRKCZ (0.67) PRKCZMAPK1LMNAGAAMAPT
SCHEMBL3975220 0.79 PRKCZ (0.58) PRKCZMAPK1POLBLMNAGAA

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
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