SCHEMBL8560804

SCHEMBL8560804

Cc1cc2c(c3c1NC(=O)C3C(C)C)OC(C)C2

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.37
CREBBP Q92793 5/20 0.37
PARP1 P09874 6/20 0.34
MAOA P21397 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
SCHEMBL8555634 0.81 BRD4 (0.36) BRD4CREBBPPARP1MAOA
SCHEMBL14555366 0.63 ALDH1A1 (0.51)
SCHEMBL24019930 0.62 CES1 (0.33) BRD4CREBBP
SCHEMBL24019932 0.62 CES1 (0.44)
SCHEMBL8558415 0.62
SCHEMBL9094745 0.62 BRD4 (0.39) BRD4CREBBPPARP1
Methane SCHEMBL8558224 0.61
SCHEMBL30666071 0.59 PARP1 (0.37) BRD4CREBBPPARP1MAOA
SCHEMBL18768108 0.59 AKR1B1 (0.43) BRD4CREBBPPARP1MAOA
SCHEMBL24019928 0.59 TP53 (0.34) BRD4CREBBP

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