SCHEMBL3976906

SCHEMBL3976906

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 7/20 0.55
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46
ADORA1 P30542 8/20 0.45
ANO1 Q5XXA6 3/20 0.45
ALDH1A1 P00352 2/20 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
LMNA P02545 1/20 0.42
HPGD P15428 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) PRKCZMEN1KMT2ARAB9AADORA1
SCHEMBL3972589 0.86 PRKCZ (0.55) PRKCZMEN1KMT2ARAB9AADORA1
SCHEMBL3974298 0.86 PRKCZ (0.59) PRKCZMEN1KMT2ARAB9AADORA1
SCHEMBL3972011 0.86 PRKCZ (0.57) PRKCZMEN1KMT2ARAB9AADORA1
SCHEMBL3976107 0.86 PRKCZ (0.58) PRKCZMEN1KMT2ARAB9AADORA1
SCHEMBL3974317 0.86 PRKCZ (0.54) PRKCZMEN1KMT2AADORA1ALDH1A1
SCHEMBL3975220 0.83 PRKCZ (0.58) PRKCZMEN1KMT2ARAB9AADORA1
SCHEMBL3976440 0.82 PRKCZ (0.59) PRKCZMEN1KMT2ARAB9AADORA1
SCHEMBL3975200 0.80 PRKCZ (0.48) PRKCZMEN1KMT2ARAB9AADORA1
SCHEMBL2369108 0.79 PRKCZ (0.63) PRKCZMEN1KMT2AANO1ALDH1A1

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