SCHEMBL3973230

SCHEMBL3973230

COc1ccc(-c2csc(N)c2C(=O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 8/20 0.60
ALDH1A1 P00352 6/20 0.60
HPGD P15428 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 4/20 0.53
HSD17B10 Q99714 4/20 0.53
GAA P10253 1/20 0.53
RECQL P46063 1/20 0.53
MAPK1 P28482 2/20 0.52
TSHR P16473 1/20 0.52
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RAB9A P51151 1/20 0.48
GRIN2C Q14957 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL3975220 0.87 PRKCZ (0.58) PRKCZALDH1A1HPGDMEN1KMT2A
SCHEMBL2368746 0.86 PRKCZ (0.58) PRKCZALDH1A1HPGDMEN1KMT2A
SCHEMBL3975901 0.86 ALDH1A1 (0.73) PRKCZALDH1A1HPGDMEN1KMT2A
SCHEMBL3980970 0.85 ALDH1A1 (0.65) PRKCZALDH1A1HPGDMEN1KMT2A
SCHEMBL3976107 0.82 PRKCZ (0.58) PRKCZALDH1A1HPGDMEN1KMT2A
SCHEMBL3981694 0.82 PRKCZ (0.62) PRKCZALDH1A1HPGDMEN1KMT2A
SCHEMBL3995640 0.82 ALDH1A1 (0.76) PRKCZALDH1A1HPGDMEN1KMT2A
SCHEMBL3976339 0.82 PRKCZ (0.58) PRKCZALDH1A1HPGDMEN1KMT2A
SCHEMBL3974317 0.82 PRKCZ (0.54) PRKCZALDH1A1HPGDMEN1KMT2A
SCHEMBL136381 0.79 ALDH1A1 (0.61) PRKCZALDH1A1HPGDMEN1KMT2A

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