SCHEMBL8555358

SCHEMBL8555358

Cc1cc2c(c3c1NC(=O)C3(C)C)OC(CBr)C2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.30
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
SCHEMBL8554692 0.90 SIRT2 (0.31) PDK2PDK4
Hydrochloric Acid SCHEMBL8553946 0.86 PRKAB2 (0.34)
SCHEMBL8558902 0.85 SIRT2 (0.30)
SCHEMBL8556419 0.84 PDK2 (0.32) PDK2
Hydrochloric Acid SCHEMBL8560029 0.84 METAP1 (0.32)
Hydrochloric Acid SCHEMBL8556096 0.84 AQP1 (0.40)
SCHEMBL8559205 0.83 MAOA (0.32) PDK2
SCHEMBL8558444 0.82 SIRT2 (0.33)
Hydrochloric Acid SCHEMBL8555800 0.80 HRH3 (0.32)
SCHEMBL9096854 0.80

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