SCHEMBL8236253

SCHEMBL8236253

O=C1Bc2cc(C3=Nc4cc(Cl)ccc4SC3c3ccccc3)ccc2OC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.53
NR3C2 P08235 3/20 0.53
AR P10275 3/20 0.53
PGR P06401 2/20 0.53
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP19A1 P11511 1/20 0.34
MAOB P27338 3/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL4286486 0.81 NR3C2 (0.80) NR3C1NR3C2ARPGRMAPT
SCHEMBL4286619 0.70 NR3C2 (0.85) NR3C1NR3C2ARPGRMAPT
SCHEMBL4293554 0.69 NR3C2 (1.00) NR3C1NR3C2ARPGRMAPT
SCHEMBL4299922 0.69 NR3C2 (0.82) NR3C1NR3C2ARPGRMAPT
SCHEMBL4295535 0.62 NR3C2 (0.77) NR3C1NR3C2ARPGRMAPT
SCHEMBL3434341 0.58 MAPT (0.82) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL10653418 0.56 CA2 (0.53) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4288508 0.56 NR3C2 (0.67) NR3C1NR3C2ARPGRMAPT
SCHEMBL4287386 0.56 NR3C2 (0.70) NR3C1NR3C2ARPGRMAPT
SCHEMBL11333989 0.56 MAPT (0.63) MAPTMEN1KMT2ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO disclosed