SCHEMBL3972011

SCHEMBL3972011

Nc1scc(-c2ccccc2)c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
ADORA1 P30542 6/20 0.55
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
NR4A1 P22736 1/20 0.44
ANO1 Q5XXA6 1/20 0.43
MAPT P10636 2/20 0.43
GABRA1 P14867 1/20 0.43
GABRA5 P31644 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL3976107 0.94 PRKCZ (0.58) PRKCZALDH1A1MEN1KMT2ALMNA
SCHEMBL3974360 0.92 PRKCZ (0.62) PRKCZALDH1A1MEN1KMT2ALMNA
SCHEMBL3980970 0.89 ALDH1A1 (0.65) PRKCZALDH1A1MEN1KMT2ALMNA
SCHEMBL3975200 0.87 PRKCZ (0.48) PRKCZALDH1A1MEN1KMT2ALMNA
SCHEMBL3974298 0.86 PRKCZ (0.59) PRKCZALDH1A1MEN1KMT2ALMNA
SCHEMBL3976906 0.86 PRKCZ (0.55) PRKCZALDH1A1MEN1KMT2ALMNA
SCHEMBL3972589 0.86 PRKCZ (0.55) PRKCZALDH1A1MEN1KMT2AADORA1
SCHEMBL136381 0.85 ALDH1A1 (0.61) PRKCZALDH1A1MEN1KMT2ALMNA
SCHEMBL3975112 0.85 PRKCZ (0.50) PRKCZALDH1A1MEN1KMT2ALMNA
SCHEMBL3980156 0.84 PRKCZ (0.45) PRKCZALDH1A1MEN1KMT2ALMNA

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