SCHEMBL5398709

SCHEMBL5398709

O=C1CN(c2cc(Cl)c(Oc3ccc(O)c(C(=O)c4ccc(Cl)cc4)c3)c(Cl)c2)C(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.42
THRA P10827 5/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5415371 0.92 THRB (0.45) THRBTHRAMEN1KMT2AKDM4E
SCHEMBL5327188 0.90 THRB (0.39) THRBTHRAKDM4EALDH1A1MAPT
SCHEMBL5437353 0.89 THRB (0.40) THRBTHRAMEN1KMT2AKDM4E
SCHEMBL5322895 0.83 THRB (0.40) THRBTHRA
SCHEMBL5327228 0.83 THRB (0.42) THRBTHRA
SCHEMBL5332095 0.81 THRB (0.63) THRBTHRAALDH1A1
SCHEMBL5398710 0.81 THRB (0.42) THRBTHRAMEN1KMT2APOLB
SCHEMBL5330299 0.79 THRB (0.40) THRBTHRA
SCHEMBL5329530 0.79 THRB (0.43) THRBTHRA
SCHEMBL5324978 0.79 POLB (0.43) POLBKDM4EALDH1A1MAPT

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-2007132475-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2007-11-22 WO disclosed