SCHEMBL5580426

SCHEMBL5580426

O=C(O)CCSC(c1ccccc1)(c1ccccc1)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.64
ALDH1A1 P00352 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL34785 0.90 KIF11 (0.57) KIF11CYP2C19
SCHEMBL17953631 0.82 KIF11 (0.57) KIF11ALDH1A1
SCHEMBL329636 0.80 ALDH1A1 (0.55) KIF11ALDH1A1
SCHEMBL11267943 0.79 KIF11 (0.48) KIF11
SCHEMBL5580633 0.79 KIF11 (0.50) KIF11
SCHEMBL29282835 0.78 KIF11 (0.45) KIF11CYP2C19
SCHEMBL3087541 0.78 KIF11 (0.52) KIF11ALDH1A1
SCHEMBL5580308 0.77 KIF11 (0.64) KIF11SIRT2
SCHEMBL22328130 0.77 KIF11 (0.67) KIF11ALDH1A1SIRT2
SCHEMBL12417494 0.77 KIF11 (0.67) KIF11ALDH1A1SIRT2

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-20070264667-A1 Method and system for assaying transferase activity GELLIBOLIAN ROBERT 2007-11-15 US disclosed