SCHEMBL3980970

SCHEMBL3980970

Nc1scc(-c2ccccc2)c1C(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.65
PRKCZ Q05513 6/20 0.65
LMNA P02545 4/20 0.65
HPGD P15428 4/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
GRM6 O15303 1/20 0.50
HSD17B10 Q99714 6/20 0.49
USP2 O75604 1/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 6/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
ADORA1 P30542 1/20 0.47
BCAT2 O15382 1/20 0.45
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL3974317 0.89 PRKCZ (0.54) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL136381 0.89 ALDH1A1 (0.61) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3976107 0.89 PRKCZ (0.58) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3972011 0.89 PRKCZ (0.57) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3976339 0.89 PRKCZ (0.58) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3981694 0.89 PRKCZ (0.62) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL1799330 0.86 KMT2A (0.69) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL9720150 0.85 ALDH1A1 (0.53) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3975112 0.85 PRKCZ (0.50) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3976445 0.85 ALDH1A1 (0.50) 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