SCHEMBL3976396

SCHEMBL3976396

Nc1scc(-c2ccccc2F)c1C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
PRKCZ Q05513 5/20 0.44
LMNA P02545 4/20 0.44
HPGD P15428 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
GLA P06280 1/20 0.44
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 5/20 0.42
MPL P40238 1/20 0.41
GAA P10253 3/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
GRM6 O15303 1/20 0.39
ADORA1 P30542 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 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
SCHEMBL3972248 0.89 ADORA1 (0.49) PRKCZMEN1KMT2AMAPTADORA1
SCHEMBL12465762 0.88 PRKCZ (0.47) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3980970 0.81 ALDH1A1 (0.65) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3976339 0.81 PRKCZ (0.58) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3976253 0.77 PRKCZ (0.50) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL689530 0.76 PRKCZ (0.69) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3974317 0.75 PRKCZ (0.54) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3981694 0.75 PRKCZ (0.62) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3976107 0.75 PRKCZ (0.58) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3974068 0.73 CNR2 (0.51) ALDH1A1PRKCZLMNAHPGDMEN1

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