SCHEMBL5072169

SCHEMBL5072169

CCc1c2cc(Oc3c(Br)cc(NCC(=O)O)cc3Br)ccc2nn1CC(C)C.Cc1c2cc(Oc3c(Br)cc(NCC(=O)O)cc3Br)ccc2nn1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.34
THRB P10828 6/20 0.34
FABP4 P15090 1/20 0.33
P2RX7 Q99572 2/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 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
SCHEMBL5072172 0.94 THRA (0.33) THRATHRBP2RX7GSK3AGSK3B
SCHEMBL3145862 0.91 THRA (0.40) THRATHRBGSK3AGSK3BCDK5
Glycine SCHEMBL5076583 0.88 THRA (0.38) THRATHRB
SCHEMBL3129766 0.88 P2RX7 (0.40) THRATHRBP2RX7KDM4EMEN1
SCHEMBL3127279 0.86 THRA (0.41) THRATHRBFABP4GSK3AGSK3B
SCHEMBL5076587 0.80 THRA (0.36) THRATHRBGSK3AGSK3BCDK5
SCHEMBL5072164 0.80 THRB (0.39) THRATHRB
SCHEMBL3137145 0.80 THRB (0.41) THRATHRB
SCHEMBL3141231 0.76 THRA (0.38) THRATHRB
SCHEMBL3137713 0.75 THRA (0.36) THRATHRB

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-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 WO disclosed