SCHEMBL8228596

SCHEMBL8228596

CCCN(Cc1ccccn1)C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.65
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 2/20 0.42
LIMK1 P53667 1/20 0.42
LIMK2 P53671 1/20 0.42
CXCR3 P49682 1/20 0.42
F2 P00734 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8225959 0.90 THRB (0.54) THRBHDAC1HDAC6CXCR3F2
SCHEMBL8226183 0.86 THRB (0.66) THRBHDAC1HDAC6LIMK1LIMK2
SCHEMBL8229487 0.83 THRB (0.68) THRBHDAC1HDAC6NPC1RAB9A
SCHEMBL8219815 0.83 THRB (0.61) THRBHDAC1HDAC6LIMK1LIMK2
SCHEMBL8229359 0.82 THRB (0.66) THRBHDAC1HDAC6NPC1RAB9A
SCHEMBL8228205 0.81 THRB (0.65) THRBHDAC1HDAC6SMN1; SMN2
SCHEMBL8226125 0.81 THRB (0.65) THRBHDAC1HDAC6NPC1
SCHEMBL8229448 0.81 THRB (0.59) THRBHDAC1HDAC6NPC1
SCHEMBL8226066 0.80 THRB (0.55) THRBHDAC1HDAC6F2
SCHEMBL8226265 0.80 THRB (0.56) THRBHDAC1HDAC6LIMK1LIMK2

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