SCHEMBL1383382

SCHEMBL1383382

CN(Cc1ccccc1)c1ncc(C(=O)NCCC(O)c2ccc(O)c(O)c2)c(-c2ccccc2Br)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.46
SIGMAR1 Q99720 2/20 0.37
APP P05067 6/20 0.36
RXFP1 Q9HBX9 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33

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
SCHEMBL1385738 0.91 CASR (0.46) CASRSIGMAR1APPTMEM97
SCHEMBL1385726 0.91 CASR (0.46) CASRSIGMAR1APPRXFP1THRB
SCHEMBL1383132 0.82 CASR (0.47) CASRAPPTP53MAPT
SCHEMBL1384720 0.81 CASR (0.46) CASRAPP
SCHEMBL1386946 0.81 CASR (0.46) CASRSIGMAR1APPLMNATMEM97
SCHEMBL3950139 0.80 CASR (0.37) CASRRXFP1LMNATP53MAPT
SCHEMBL1386100 0.80 CASR (0.56) CASRAPPRXFP1THRB
SCHEMBL1385543 0.80 CASR (0.54) CASR
SCHEMBL1385344 0.80 CASR (0.54) CASRAPPRXFP1THRB
SCHEMBL1385867 0.80 CASR (0.59) CASRAPPRXFP1MAPTTHRB

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
JP-4825686-B2 2011-11-30 JP claimed