SCHEMBL8226232

SCHEMBL8226232

CN(C)CCCN(Cc1cccs1)C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.56
HDAC1 Q13547 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8220990 0.83 THRB (0.57) THRBHDAC1NPC1RAB9AHDAC6
SCHEMBL8226268 0.81 THRB (0.57) THRBHDAC1NPC1HDAC6MEN1
SCHEMBL8226117 0.81 THRB (0.55) THRBHDAC1NPC1RAB9A
SCHEMBL8225963 0.79 THRB (0.58) THRBHDAC1
SCHEMBL8219815 0.79 THRB (0.61) THRBHDAC1NPC1HDAC6
SCHEMBL8226125 0.78 THRB (0.65) THRBHDAC1NPC1HDAC6
SCHEMBL8229448 0.78 THRB (0.59) THRBHDAC1NPC1HDAC6
SCHEMBL8226183 0.77 THRB (0.66) THRBHDAC1NPC1HDAC6
SCHEMBL8228692 0.77 THRB (0.66) THRBHDAC1NPC1
SCHEMBL8225959 0.77 THRB (0.54) 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