SCHEMBL8554692

SCHEMBL8554692

CC1(C)C(=O)Nc2c(Br)cc3c(c21)OC(CBr)C3

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.31
PDK2 Q15119 1/20 0.30
PDK4 Q16654 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
SCHEMBL8555358 0.90 KMT2A (0.30) PDK2PDK4
Hydrochloric Acid SCHEMBL8555599 0.88 PRKAB2 (0.33) SIRT2
SCHEMBL8556419 0.84 PDK2 (0.32) PDK2
SCHEMBL8559205 0.83 MAOA (0.32) SIRT2PDK2
SCHEMBL9095564 0.82 SIRT2 (0.30) SIRT2
SCHEMBL8558444 0.82 SIRT2 (0.33) SIRT2
SCHEMBL8556926 0.76
Hydrochloric Acid SCHEMBL8553946 0.76 PRKAB2 (0.34)
Hydrochloric Acid SCHEMBL8557391 0.75 PDK2 (0.36) PDK2
SCHEMBL8558902 0.75 SIRT2 (0.30) SIRT2

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