SCHEMBL4540014

SCHEMBL4540014

O=C(O)CNC(=O)c1ccc(Oc2ccc3[nH]c(C(F)(F)C(F)F)nc3c2)c(Br)c1Br

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 10/20 0.36
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
ATM Q13315 1/20 0.33
AKR1B1 P15121 3/20 0.32
AKR1B10 O60218 1/20 0.32
HIF1A Q16665 1/20 0.31
GAA P10253 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
SCHEMBL4295275 0.82 ATM (0.38) EGLN1THRATHRBATM
SCHEMBL3980253 0.79 EGLN1 (0.40) EGLN1THRATHRBATMHIF1A
SCHEMBL4299059 0.75 KDM4E (0.37) EGLN1THRATHRBGAA
SCHEMBL3978301 0.75 THRB (0.37) THRATHRB
SCHEMBL3986363 0.70 THRB (0.37) THRATHRB
SCHEMBL13625961 0.62 EGLN1 (0.82) EGLN1
SCHEMBL4305878 0.60 EGLN1 (0.81) EGLN1
SCHEMBL10871977 0.60 SMN1; SMN2 (0.52)
SCHEMBL3976827 0.60 THRB (0.39) EGLN1THRATHRB
SCHEMBL3979453 0.59 THRB (0.34) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO disclosed