SCHEMBL546957

SCHEMBL546957

Cc1cc(Br)c2c(c1)-c1cc(C)c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc1C2(C)C

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.36

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
SCHEMBL4586331 0.85 PDK2 (0.41) PDK2
SCHEMBL22990101 0.81 PDK2 (0.42) PDK2
SCHEMBL10025097 0.75 PDK2 (0.54) PDK2
SCHEMBL10025082 0.75 PDK2 (0.45) PDK2
SCHEMBL29789018 0.74 ALDH1A1 (0.44) PDK2
SCHEMBL14508335 0.74 ALDH1A1 (0.44) PDK2
SCHEMBL29577059 0.74 ALDH1A1 (0.44) PDK2
SCHEMBL10058252 0.74 PDK2 (0.47) PDK2
SCHEMBL10025079 0.74 PDK2 (0.50) PDK2
SCHEMBL10025121 0.74 PDK2 (0.45) PDK2

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-8110294-B2 Fluorene compound; steric hindrance CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed