SCHEMBL5364592

SCHEMBL5364592

O=C(O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.57
HDAC6 Q9UBN7 2/20 0.56
HDAC1 Q13547 1/20 0.55
MRGPRX4 Q96LA9 1/20 0.48
MBOAT4 Q96T53 1/20 0.47
PDE5A O76074 1/20 0.47
KCNH2 Q12809 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2A1 P68400 1/20 0.46

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
SCHEMBL5369888 0.85 THRB (0.57) THRBHDAC6HDAC1
SCHEMBL8228581 0.85 THRB (0.59) THRBHDAC6HDAC1
SCHEMBL8219821 0.84 THRB (0.60) THRBHDAC6HDAC1
SCHEMBL5364594 0.84 THRB (0.49) THRBHDAC6HDAC1KCNH2
SCHEMBL5354669 0.83 THRB (0.58) THRBMRGPRX4
SCHEMBL5374710 0.81 THRB (0.60) THRB
SCHEMBL8226125 0.81 THRB (0.65) THRBHDAC6HDAC1
SCHEMBL8219823 0.81 THRB (0.63) THRBHDAC6HDAC1
SCHEMBL5324066 0.81 THRB (0.61) THRB
SCHEMBL8228557 0.81 THRB (0.58) THRBHDAC6HDAC1

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