SCHEMBL5023670

SCHEMBL5023670

COc1ccc(Cn2c(=O)sn(C)c2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 4/20 0.67
GSK3B P49841 4/20 0.67
CCNB2 O95067 1/20 0.67
CDK1 P06493 1/20 0.67
CCNB1 P14635 1/20 0.67
CCNB3 Q8WWL7 1/20 0.67
RGS4 P49798 8/20 0.64
RGS8 P57771 7/20 0.63
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALOX15 P16050 1/20 0.51
CMA1 P23946 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
P2RX4 Q99571 1/20 0.49

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
SCHEMBL13516989 0.83 RGS4 (0.89) RGS4RGS8POLBGAAMAPK1
SCHEMBL5023665 0.82 GSK3B (0.73) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL5023669 0.82 GSK3A (0.73) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL18802339 0.81 GSK3B (0.71) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL6429448 0.81 GSK3B (0.71) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL139834 0.80 GSK3B (1.00) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL13517060 0.80 RGS4 (0.90) GSK3BRGS4RGS8POLBGAA
SCHEMBL13517354 0.80 RGS4 (0.74) GSK3AGSK3BRGS4RGS8POLB
SCHEMBL2106404 0.80 GSK3B (0.75) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL13517756 0.79 RGS4 (1.00) RGS4RGS8

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-2012065065-A9 METHODS AND COMPOSITIONS FOR MODULATING HAIR GROWTH, WOUND HEALING AND SCAR REVISION FOLLICA, INC. (US) 2012-10-11 WO disclosed
WO-2012065065-A1 METHODS AND COMPOSITIONS FOR MODULATING HAIR GROWTH, WOUND HEALING AND SCAR REVISION FOLLICA, INC. (US) 2012-05-18 WO disclosed
WO-2005024755-A2 MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS OR DIABETES DECIPHERA PHARMACEUTICALS, LLC. (US) 2005-03-17 WO disclosed