SCHEMBL5580308

SCHEMBL5580308

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

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 0.64
SIRT2 Q8IXJ6 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
SCHEMBL1526443 0.90 KIF11 (0.57) KIF11
SCHEMBL5580426 0.77 KIF11 (0.64) KIF11SIRT2
SCHEMBL19119681 0.72 KIF11 (0.57) KIF11
SCHEMBL5492803 0.71 KIF11 (0.50) KIF11
SCHEMBL2876796 0.70 KIF11 (0.58) KIF11
SCHEMBL974721 0.69 KIF11 (0.63) KIF11
SCHEMBL6762948 0.66 KIF11 (0.59) KIF11
SCHEMBL19514668 0.66 KIF11 (0.53) KIF11SIRT2
SCHEMBL13124532 0.66 KIF11 (0.64) KIF11
SCHEMBL3733417 0.66 KIF11 (0.64) KIF11

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