SCHEMBL5072172

SCHEMBL5072172

CCc1c2cc(Oc3c(Br)cc(NCC(=O)OC(=O)CNc4cc(Br)c(Oc5ccc6nn(-c7ccccc7)c(C)c6c5)c(Br)c4)cc3Br)ccc2nn1CC(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.33
THRB P10828 4/20 0.33
P2RX7 Q99572 1/20 0.32
RAF1 P04049 3/20 0.31
BRAF P15056 3/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
IGF1R P08069 1/20 0.31
MET P08581 1/20 0.31
KDR P35968 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30

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
SCHEMBL5072169 0.94 THRA (0.34) THRATHRBP2RX7GSK3AGSK3B
SCHEMBL5076587 0.87 THRA (0.36) THRATHRBRAF1BRAFGSK3A
SCHEMBL3145862 0.85 THRA (0.40) THRATHRBGSK3AGSK3BCDK5
Glycine SCHEMBL5076583 0.82 THRA (0.38) THRATHRB
SCHEMBL3129766 0.81 P2RX7 (0.40) THRATHRBP2RX7KDM4EMEN1
SCHEMBL3127279 0.80 THRA (0.41) THRATHRBGSK3AGSK3BCDK5
SCHEMBL3137145 0.76 THRB (0.41) THRATHRB
SCHEMBL3141231 0.75 THRA (0.38) THRATHRB
SCHEMBL5072164 0.75 THRB (0.39) THRATHRB
SCHEMBL3133621 0.70 THRA (0.39) THRATHRBGSK3AGSK3BCDK5

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