SCHEMBL5355129

SCHEMBL5355129

O=C(c1ccc2oc(NCc3cccc(Cl)c3)nc2c1)N(CC1CCNC1)C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 13/20 0.57
HDAC1 Q13547 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MBTPS1 Q14703 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL8228230 0.96 THRB (0.56) THRBHDAC1HDAC6
SCHEMBL8230284 0.93 THRB (0.56) THRBHDAC1SLC6A2SLC6A4SLC6A3
SCHEMBL8229534 0.88 THRB (0.68) THRBHDAC1HDAC6
SCHEMBL8228589 0.87 THRB (0.75) THRBHDAC1HDAC6
SCHEMBL8220867 0.86 THRB (0.61) THRB
SCHEMBL8225984 0.86 THRB (0.69) THRBHDAC1HDAC6
SCHEMBL5356583 0.86 THRB (0.60) THRB
SCHEMBL8228557 0.85 THRB (0.58) THRBHDAC1HDAC6
SCHEMBL8225187 0.84 THRB (0.59) THRBHDAC1HDAC6
SCHEMBL8228162 0.84 THRB (0.57) THRBHDAC1HDAC6

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
WO-2007140982-A1 SUBSTITUTED BENZOXAZOLES BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed
WO-2007140982-A1 SUBSTITUTED BENZOXAZOLES BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed