SCHEMBL5364594

SCHEMBL5364594

O=C(O)Oc1ccc2oc(NCc3cccc(Cl)c3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 2/20 0.46
P2RY14 Q15391 1/20 0.42
FBP1 P09467 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL5354672 0.84 THRB (0.54) THRB
SCHEMBL5364592 0.84 THRB (0.57) THRBHDAC1HDAC6KCNH2
SCHEMBL5374715 0.82 THRB (0.55) THRB
SCHEMBL5372656 0.82 THRB (0.66) THRB
SCHEMBL5324071 0.82 THRB (0.56) THRB
SCHEMBL5369888 0.78 THRB (0.57) THRBHDAC1HDAC6
SCHEMBL8228581 0.76 THRB (0.59) THRBHDAC1HDAC6
SCHEMBL8219821 0.75 THRB (0.60) THRBHDAC1HDAC6
SCHEMBL5372654 0.72 THRB (0.75) THRB
SCHEMBL8228557 0.72 THRB (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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