SCHEMBL3972589

SCHEMBL3972589

Nc1scc(-c2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 3/20 0.55
ADORA1 P30542 5/20 0.54
ANO1 Q5XXA6 5/20 0.46
MEN1 O00255 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 3/20 0.46
ANO2 Q9NQ90 1/20 0.46
PTGS1 P23219 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 2/20 0.44
MDM2 Q00987 2/20 0.44
NPC1 O15118 1/20 0.43
NLRP3 Q96P20 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
SCHEMBL3974360 0.93 PRKCZ (0.62) PRKCZADORA1ANO1MEN1RAB9A
SCHEMBL3976906 0.86 PRKCZ (0.55) PRKCZADORA1ANO1MEN1RAB9A
SCHEMBL3974298 0.86 PRKCZ (0.59) PRKCZADORA1ANO1MEN1RAB9A
SCHEMBL3976107 0.86 PRKCZ (0.58) PRKCZADORA1ANO1MEN1RAB9A
SCHEMBL3976339 0.86 PRKCZ (0.58) PRKCZMEN1RAB9AKMT2APTGS1
SCHEMBL3972011 0.86 PRKCZ (0.57) PRKCZADORA1ANO1MEN1RAB9A
SCHEMBL3980156 0.84 PRKCZ (0.45) PRKCZADORA1ANO1MEN1RAB9A
SCHEMBL3975220 0.83 PRKCZ (0.58) PRKCZADORA1ANO1MEN1RAB9A
SCHEMBL3976440 0.82 PRKCZ (0.59) PRKCZADORA1MEN1RAB9AKMT2A
SCHEMBL3975200 0.80 PRKCZ (0.48) PRKCZADORA1MEN1RAB9AKMT2A

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