SCHEMBL4724931

SCHEMBL4724931

O=C1COc2ccc(C(=O)Cc3cccc(Br)c3Cl)cc2N1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
MAPT P10636 5/20 0.61
KDM4E B2RXH2 2/20 0.54
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
PKM P14618 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
GAA P10253 1/20 0.48
USP2 O75604 1/20 0.47
DNMT1 P26358 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4724613 0.89 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ECASP3SENP7
SCHEMBL4293962 0.89 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ECASP3SENP7
SCHEMBL4764475 0.87 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ECASP3SENP7
SCHEMBL4724972 0.87 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ECASP3SENP7
SCHEMBL4724540 0.87 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ECASP3SENP7
SCHEMBL4287139 0.84 ALDH1A1 (0.66) ALDH1A1MAPTKDM4ECASP3SENP7
SCHEMBL4724780 0.84 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ECASP3SENP7
SCHEMBL4766111 0.83 ALDH1A1 (0.64) ALDH1A1MAPTKDM4ECASP3SENP7
SCHEMBL4291546 0.80 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ECASP3SENP7
SCHEMBL4287081 0.80 ALDH1A1 (0.79) ALDH1A1MAPTKDM4ECASP3SENP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO disclosed