SCHEMBL8557014

SCHEMBL8557014

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.33
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8557018 1.00 PDK2 (0.33) PDK2KMT2AMEN1PDK1PDK3
SCHEMBL8555928 0.88 PDK2 (0.35) PDK2
SCHEMBL8557766 0.87 PDK2 (0.32) PDK2KMT2AMEN1ALDH1A1HTT
SCHEMBL8557765 0.87 PDK2 (0.32) PDK2KMT2AMEN1ALDH1A1HTT
SCHEMBL8555134 0.85 ALDH1A1 (0.37) PDK2KMT2AALDH1A1
SCHEMBL8596431 0.84 KMT2A (0.32) PDK2KMT2AMEN1ALDH1A1HTT
SCHEMBL8596432 0.84 KMT2A (0.32) PDK2KMT2AMEN1ALDH1A1HTT
SCHEMBL8554583 0.83 PDE4B (0.37) ALDH1A1
SCHEMBL9094152 0.79 KDM4E (0.30) ALDH1A1
SCHEMBL9094155 0.79 KDM4E (0.30) ALDH1A1

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