SCHEMBL4724972

SCHEMBL4724972

Cc1c(Br)cccc1CC(=O)c1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 1/20 0.49
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
GAA P10253 1/20 0.48
POLB P06746 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
SCHEMBL4724613 0.89 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ENPSR1RXFP1
SCHEMBL4293962 0.89 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ENPSR1RXFP1
SCHEMBL4724931 0.87 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ENPSR1RXFP1
SCHEMBL4724540 0.87 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ENPSR1RXFP1
SCHEMBL4291546 0.84 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ENPSR1RXFP1
SCHEMBL4764475 0.83 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ENPSR1RXFP1
SCHEMBL4766111 0.83 ALDH1A1 (0.64) ALDH1A1MAPTKDM4ENPSR1RXFP1
SCHEMBL4287081 0.80 ALDH1A1 (0.79) ALDH1A1MAPTKDM4ERXFP1PKM
SCHEMBL4287139 0.80 ALDH1A1 (0.66) ALDH1A1MAPTKDM4ERXFP1PKM
SCHEMBL4762533 0.80 RAB9A (0.61) ALDH1A1MAPTKDM4ENPSR1RXFP1

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