SCHEMBL4767437

SCHEMBL4767437

O=C1COc2ccc(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)cc2N1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
POLB P06746 1/20 0.63
ALDH1A1 P00352 8/20 0.55
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
USP2 O75604 1/20 0.45
DNMT1 P26358 1/20 0.45
PKM P14618 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL4295502 0.84 MAPT (0.72) MAPTPOLBALDH1A1RAB9AKDM4E
SCHEMBL4764188 0.83 ALDH1A1 (0.59) MAPTALDH1A1KDM4ERXFP1L3MBTL1
SCHEMBL4724780 0.83 ALDH1A1 (0.62) MAPTALDH1A1KDM4ERXFP1L3MBTL1
SCHEMBL4293962 0.82 ALDH1A1 (0.62) MAPTPOLBALDH1A1RAB9AKDM4E
SCHEMBL4291383 0.82 MAPT (0.63) MAPTPOLBALDH1A1RAB9AKDM4E
SCHEMBL4762533 0.81 RAB9A (0.61) MAPTPOLBALDH1A1RAB9AKDM4E
SCHEMBL4724613 0.78 ALDH1A1 (0.60) MAPTALDH1A1KDM4ERXFP1L3MBTL1
SCHEMBL304014 0.78 MAPT (0.60) MAPTPOLBALDH1A1RAB9APKM
SCHEMBL31490264 0.78 MAPT (0.60) MAPTPOLBALDH1A1RAB9APKM
SCHEMBL4768734 0.76 ALDH1A1 (0.58) MAPTALDH1A1KDM4ERXFP1L3MBTL1

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