SCHEMBL4767698

SCHEMBL4767698

O=C1COc2ccc(C(=O)Cc3nc(Br)cs3)cc2N1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
ALDH1A1 P00352 8/20 0.58
PKM P14618 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
USP2 O75604 2/20 0.50
POLB P06746 1/20 0.50
BLM P54132 1/20 0.50
RXFP1 Q9HBX9 2/20 0.49
KDM4E B2RXH2 3/20 0.48
DNMT1 P26358 1/20 0.47
PTGES O14684 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
SCHEMBL4293569 0.81 ALDH1A1 (0.60) MAPTALDH1A1PKML3MBTL1USP2
SCHEMBL4288577 0.78 ALDH1A1 (0.65) MAPTALDH1A1PKML3MBTL1USP2
SCHEMBL4291442 0.76 ALDH1A1 (0.75) MAPTALDH1A1PKMPOLBRXFP1
SCHEMBL4293962 0.76 ALDH1A1 (0.62) MAPTALDH1A1PKML3MBTL1USP2
SCHEMBL4294572 0.75 ALDH1A1 (0.61) MAPTALDH1A1PKML3MBTL1RXFP1
SCHEMBL4293605 0.75 ALDH1A1 (0.68) MAPTALDH1A1PKML3MBTL1RXFP1
SCHEMBL4724607 0.74 ALDH1A1 (0.58) MAPTALDH1A1PKMUSP2POLB
SCHEMBL532500 0.74 ALDH1A1 (1.00) MAPTALDH1A1PKMPOLBRXFP1
SCHEMBL4264178 0.74 ALDH1A1 (0.75) MAPTALDH1A1PKML3MBTL1POLB
SCHEMBL29550875 0.74 ALDH1A1 (1.00) MAPTALDH1A1PKMPOLBRXFP1

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