SCHEMBL4724607

SCHEMBL4724607

O=C1COc2ccc(C(=O)Cc3ncccc3Br)cc2N1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
MAPT P10636 5/20 0.58
KDM4E B2RXH2 2/20 0.52
PKM P14618 2/20 0.52
RXFP1 Q9HBX9 1/20 0.51
NR3C2 P08235 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 2/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
GAA P10253 1/20 0.48
USP2 O75604 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4293962 0.82 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EPKMRXFP1
SCHEMBL4288352 0.81 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EPKMRXFP1
SCHEMBL4724613 0.81 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EPKMRXFP1
SCHEMBL4724540 0.79 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EPKMRXFP1
SCHEMBL4724972 0.79 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EPKMRXFP1
SCHEMBL4724931 0.79 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EPKMRXFP1
SCHEMBL4288577 0.78 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EPKMRXFP1
SCHEMBL4293605 0.77 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EPKMRXFP1
SCHEMBL4294572 0.77 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EPKMRXFP1
SCHEMBL4291442 0.76 ALDH1A1 (0.75) ALDH1A1MAPTKDM4EPKMRXFP1

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