SCHEMBL7121678

SCHEMBL7121678

COc1ccc(Oc2c(Br)cc(OC(C)=O)cc2Br)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 8/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.43
MITF O75030 1/20 0.43
PKM P14618 1/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41

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
SCHEMBL376107 0.86 ALDH1A1 (0.50) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL7114898 0.85 MAPT (0.43) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL7118031 0.83 HTT (0.47) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL5858232 0.82 THRB (0.53) MAPTKMT2AMEN1POLBTHRB
SCHEMBL7250246 0.81 MEN1 (0.46) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL7125355 0.80 MEN1 (0.45) KMT2AMEN1ALDH1A1TUBB4ATUBB
SCHEMBL12993689 0.77 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL11200639 0.77 ALDH1A1 (0.52) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL7112160 0.77 BACE1 (0.52) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL228433 0.76 MAPT (0.55) MAPTKMT2AMEN1POLBALDH1A1

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-1358175-A2 PHENOXY SUBSTITUTED BENZOCONDENSED HETEROARYL DERIVATIVES AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-11-05 EP disclosed
WO-2002062780-A2 PHENOXY SUBSTITUTED BENZOCONDENSED HETEROARYL DERIVATIVES AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2002-08-15 WO disclosed