SCHEMBL5859445

SCHEMBL5859445

CC(C(=O)O)c1cc(Br)c(Oc2ccc(N)c([N+](=O)[O-])c2)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
THRA P10827 3/20 0.40
THRB P10828 3/20 0.40
TSHR P16473 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MITF O75030 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL5861455 0.84 HCAR3 (0.46) LMNATHRATHRBALDH1A1MAPT
SCHEMBL7114898 0.80 MAPT (0.43) LMNATSHRALDH1A1MAPTHTT
SCHEMBL3907347 0.79 THRA (0.40) LMNATHRATHRBALDH1A1MAPT
SCHEMBL5858364 0.79 THRB (0.52) LMNATHRATHRB
SCHEMBL5964570 0.78 THRA (0.46) THRATHRBCYP3A4
SCHEMBL4136656 0.77 LMNA (0.55) LMNATSHRCRHBPCRHR2ALDH1A1
SCHEMBL3913459 0.77 THRA (0.54) LMNATHRATHRBPOLB
SCHEMBL27874611 0.76 ALDH1A1 (0.42) LMNATHRATHRBALDH1A1MAPT
SCHEMBL4449560 0.76 GAA (0.35) LMNATHRATHRBALDH1A1MAPT
SCHEMBL3141253 0.75 ALDH1A1 (0.40) LMNATHRATHRBALDH1A1MAPT

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
US-7144909-B2 Phenoxy substituted benzocondensed heteroaryl derivatives as thyroid receptor ligands KARO BIO AB (SE) 2006-12-05 US disclosed
US-20040116387-A1 Phenoxy substituted benzocondensed heteroaryl derivatives as thyroid receptor ligands KARO BIO AB (SE) 2004-06-17 US disclosed