SCHEMBL8229338

SCHEMBL8229338

CC(C)CN(CCN1CCOCC1)C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.62
CASR P41180 1/20 0.51
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.43
PIK3CA P42336 4/20 0.42
AURKB Q96GD4 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
SCHEMBL8225456 0.91 THRB (0.70) THRBCASRALDH1A1LMNAGAA
SCHEMBL8227623 0.87 THRB (0.68) THRBCASRALDH1A1LMNAGAA
SCHEMBL8231039 0.86 THRB (0.56) THRBCASRALDH1A1LMNAGAA
SCHEMBL8228552 0.81 THRB (0.55) THRB
SCHEMBL8228692 0.80 THRB (0.66) THRB
SCHEMBL8228641 0.80 THRB (0.54) THRB
SCHEMBL8228577 0.80 THRB (0.65) THRB
SCHEMBL8229336 0.78 THRB (0.55) THRBCASRPOLBTSHR
SCHEMBL8228481 0.78 THRB (0.58) THRB
SCHEMBL8226125 0.77 THRB (0.65) THRBALDH1A1

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