SCHEMBL9848485

SCHEMBL9848485

COc1ccc(CN[C@@H](CNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CASR P41180 3/20 0.51
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
LTA4H P09960 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8092329 0.84 TDP1 (0.59) TDP1MEN1KMT2AL3MBTL1CASR
SCHEMBL22445577 0.82 TDP1 (0.58) TDP1MEN1KMT2AL3MBTL1CASR
SCHEMBL12493466 0.82 TDP1 (0.58) TDP1MEN1KMT2AL3MBTL1CASR
SCHEMBL4885737 0.79 TDP1 (0.54) TDP1MEN1KMT2ACASRHTT
SCHEMBL4885725 0.79 TDP1 (0.54) TDP1MEN1KMT2ACASRHTT
SCHEMBL4887164 0.79 TDP1 (0.54) TDP1MEN1KMT2ACASRHTT
SCHEMBL4846798 0.78 TDP1 (0.53) TDP1MEN1KMT2ACASRHTT
SCHEMBL27826995 0.78 TDP1 (0.56) TDP1MEN1KMT2AL3MBTL1CASR
SCHEMBL6552029 0.78 TDP1 (0.56) TDP1MEN1KMT2AL3MBTL1CASR
SCHEMBL6142841 0.77 CASR (0.75) TDP1MEN1KMT2AL3MBTL1CASR

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
EP-0432442-A1 ACAT inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-19 EP disclosed