SCHEMBL5580045

SCHEMBL5580045

CCOc1ccc2c(c1)SC(=Cc1ccccc1O)C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.52
CHEK1 O14757 1/20 0.49
DAPK3 O43293 1/20 0.49
PRKD3 O94806 1/20 0.49
PIM1 P11309 1/20 0.49
MAPK8 P45983 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CDK8 P49336 1/20 0.49
CLK2 P49760 1/20 0.49
CDK9 P50750 1/20 0.49
CDK5 Q00535 1/20 0.49
DYRK1A Q13627 1/20 0.49
LRRK2 Q5S007 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
MAPT P10636 7/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 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
SCHEMBL5580044 1.00 TYR (0.52) TYRCHEK1DAPK3PRKD3PIM1
SCHEMBL10497609 0.77 MAPT (0.55) PIM1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4067532 0.72 MAPT (0.48) PIM1MAPTMEN1KMT2AKDM4E
SCHEMBL30301081 0.72 MAPT (0.48) PIM1MAPTMEN1KMT2AKDM4E
SCHEMBL5904503 0.72 MAPT (0.48) PIM1MAPTMEN1KMT2AKDM4E
SCHEMBL30336864 0.72 MAPT (0.48) PIM1MAPTMEN1KMT2AKDM4E
SCHEMBL11371014 0.72 MAPT (0.61) TYRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14521148 0.72 PLK4 (0.61) CHEK1PRKD3CSNK1A1CDK8CLK4
SCHEMBL13390288 0.69 DVL1 (0.53) TYRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14145614 0.67 MAPT (0.55) TYRMAPTMEN1KMT2ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed