SCHEMBL3979210

SCHEMBL3979210

COc1cccc(-c2csc(N)c2C(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.69
ALDH1A1 P00352 4/20 0.69
HSD17B10 Q99714 3/20 0.69
LMNA P02545 2/20 0.69
PRKCZ Q05513 6/20 0.53
TP53 P04637 1/20 0.53
PRKCI P41743 2/20 0.50
KCNH2 Q12809 1/20 0.50
HPGD P15428 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CNR1 P21554 2/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.44
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 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
SCHEMBL3975901 0.89 ALDH1A1 (0.73) MAPTALDH1A1HSD17B10LMNAPRKCZ
SCHEMBL3975220 0.85 PRKCZ (0.58) MAPTALDH1A1HSD17B10LMNAPRKCZ
SCHEMBL3975200 0.85 PRKCZ (0.48) MAPTALDH1A1HSD17B10LMNAPRKCZ
SCHEMBL27729323 0.83 ALDH1A1 (0.79) MAPTALDH1A1HSD17B10LMNAPRKCZ
SCHEMBL3975696 0.82 PRKCZ (0.45) MAPTALDH1A1HSD17B10LMNAPRKCZ
SCHEMBL3980156 0.82 PRKCZ (0.45) MAPTALDH1A1HSD17B10LMNAPRKCZ
SCHEMBL5322173 0.82 ALDH1A1 (1.00) MAPTALDH1A1HSD17B10LMNAPRKCZ
SCHEMBL3972011 0.81 PRKCZ (0.57) MAPTALDH1A1HSD17B10LMNAPRKCZ
SCHEMBL3974360 0.79 PRKCZ (0.62) MAPTALDH1A1HSD17B10LMNAPRKCZ
SCHEMBL3972275 0.79 RORB (0.49) MAPTALDH1A1HSD17B10LMNAPRKCZ

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