SCHEMBL8553009

SCHEMBL8553009

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.31
PDK2 Q15119 1/20 0.31

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
Hydrochloric Acid SCHEMBL8555901 0.87 HTT (0.32) HTTKMT2A
SCHEMBL9094834 0.80 HTT (0.33) HTTKMT2A
SCHEMBL8556610 0.77 HCRTR2 (0.33) KMT2A
SCHEMBL8555358 0.76 KMT2A (0.30) KMT2APDK2
SCHEMBL8558031 0.75 PDK2 (0.32) PDK2
SCHEMBL8554977 0.71 PRKAB2 (0.34) KMT2APDK2
Hydrochloric Acid SCHEMBL8557102 0.71
Hydrochloric Acid SCHEMBL8553946 0.70 PRKAB2 (0.34)
SCHEMBL9095427 0.69 HTT (0.35) HTT
SCHEMBL8558902 0.69 SIRT2 (0.30)

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