SCHEMBL3974317

SCHEMBL3974317

Nc1scc(-c2ccc(I)cc2)c1C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 10/20 0.54
ALDH1A1 P00352 8/20 0.54
HPGD P15428 5/20 0.54
LMNA P02545 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 6/20 0.46
MAPT P10636 5/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
GRM6 O15303 1/20 0.41
GAA P10253 2/20 0.41
RECQL P46063 1/20 0.41
PRKCI P41743 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL3980970 0.89 ALDH1A1 (0.65) PRKCZALDH1A1HPGDLMNAMEN1
SCHEMBL3976906 0.86 PRKCZ (0.55) PRKCZALDH1A1HPGDLMNAMEN1
SCHEMBL3981694 0.85 PRKCZ (0.62) PRKCZALDH1A1HPGDLMNAMEN1
SCHEMBL3976339 0.85 PRKCZ (0.58) PRKCZALDH1A1HPGDLMNAMEN1
SCHEMBL3976107 0.85 PRKCZ (0.58) PRKCZALDH1A1HPGDLMNAMEN1
SCHEMBL6925391 0.84 PRKCZ (0.51) PRKCZALDH1A1HPGDLMNAMEN1
SCHEMBL3973230 0.82 PRKCZ (0.60) PRKCZALDH1A1HPGDLMNAMEN1
SCHEMBL3979943 0.81 PRKCZ (0.61) PRKCZALDH1A1HPGDLMNAMEN1
SCHEMBL3972011 0.79 PRKCZ (0.57) PRKCZALDH1A1HPGDLMNAMEN1
SCHEMBL136381 0.79 ALDH1A1 (0.61) PRKCZALDH1A1HPGDLMNAMEN1

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