SCHEMBL8090515

SCHEMBL8090515

CC(=O)c1csc(-c2cc(N)c(CCO)c(CCO)c2N)c1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
GSK3B P49841 1/20 0.35
PRKCI P41743 1/20 0.31

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
SCHEMBL7812190 0.71 ALDH1A1 (0.38)
SCHEMBL8071425 0.71
SCHEMBL8091096 0.70 ALDH1A1 (0.36)
SCHEMBL7807362 0.69 CA2 (0.41) CA2GSK3BPRKCI
SCHEMBL7465960 0.68
SCHEMBL7800673 0.68 CA2 (0.34) CA2GSK3B
SCHEMBL8106754 0.68 CHRM2 (0.34)
SCHEMBL7460452 0.67 PLA2G10 (0.33)
SCHEMBL5705033 0.66 CA2 (0.45) CA2GSK3B
SCHEMBL6137037 0.65 CA2 (0.44) CA2GSK3B

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-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US disclosed