SCHEMBL8555928

SCHEMBL8555928

CC/C=C\COc1ccc(C)c2c1C(C)(C)C(=O)N2

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35

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
SCHEMBL8557766 0.88 PDK2 (0.32) PDK2
SCHEMBL8557765 0.88 PDK2 (0.32) PDK2
SCHEMBL8557014 0.88 PDK2 (0.33) PDK2
SCHEMBL8557018 0.88 PDK2 (0.33) PDK2
SCHEMBL8555134 0.84 ALDH1A1 (0.37) PDK2
SCHEMBL6582041 0.77 PDK2 (0.35) PDK2
SCHEMBL6588788 0.77 PDK2 (0.35) PDK2
SCHEMBL6587508 0.76 PDK2 (0.34) PDK2
SCHEMBL8559248 0.75 ALDH1A1 (0.42) PDK2
SCHEMBL6585907 0.75 PDK2 (0.33) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0653426-B1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA CO (JP) 1998-07-22 EP disclosed
US-5510366-A INOTROPIC, ANTIARRHYMTHMIA AGENTS, VASODILATORS KOWA CO., LTD. (JP) 1996-04-23 US disclosed
EP-0653426-A1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA COMPANY, LTD. (JP) 1995-05-17 EP disclosed