SCHEMBL3976253

SCHEMBL3976253

Nc1scc(-c2cccc(F)c2)c1C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 6/20 0.50
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 3/20 0.48
MAPT P10636 4/20 0.47
ADORA1 P30542 2/20 0.46
GRM6 O15303 1/20 0.42
RAB9A P51151 1/20 0.41
NLRP3 Q96P20 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK14 Q16539 1/20 0.41
PARP1 P09874 1/20 0.41
USP2 O75604 1/20 0.40

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
SCHEMBL3980156 0.88 PRKCZ (0.45) PRKCZALDH1A1MEN1KMT2ALMNA
SCHEMBL12465745 0.87 HSD17B10 (0.51) PRKCZALDH1A1MEN1KMT2ALMNA
SCHEMBL3980970 0.85 ALDH1A1 (0.65) PRKCZALDH1A1MEN1KMT2ALMNA
SCHEMBL3976339 0.85 PRKCZ (0.58) PRKCZALDH1A1MEN1KMT2ALMNA
SCHEMBL3976445 0.84 ALDH1A1 (0.50) PRKCZALDH1A1MEN1KMT2ALMNA
SCHEMBL3975112 0.84 PRKCZ (0.50) PRKCZALDH1A1MEN1KMT2ALMNA
SCHEMBL3980569 0.83 ADORA1 (0.61) PRKCZALDH1A1MEN1KMT2ALMNA
SCHEMBL3975901 0.81 ALDH1A1 (0.73) PRKCZALDH1A1MEN1KMT2ALMNA
SCHEMBL3979142 0.80 ALDH1A1 (0.65) PRKCZALDH1A1MEN1KMT2ALMNA
SCHEMBL3974068 0.77 CNR2 (0.51) 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