SCHEMBL41550

SCHEMBL41550

COc1ccc(CN2C(=O)CC(C)(c3ccccc3)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
CMA1 P23946 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
CASP3 P42574 2/20 0.49
APAF1 O14727 1/20 0.49
GAA P10253 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
GSK3B P49841 3/20 0.48
GSK3A P49840 2/20 0.48
BLM P54132 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
SCN9A Q15858 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
SCHEMBL24126788 0.88 ELANE (0.56) MEN1KMT2ACMA1PTGDR2GAA
SCHEMBL1990759 0.79 CYP19A1 (0.57) ALDH1A1PTGDR2GSK3BGSK3A
SCHEMBL1990761 0.79 CYP19A1 (0.57) ALDH1A1PTGDR2GSK3BGSK3A
SCHEMBL27551866 0.76 MAPT (0.43) MEN1KMT2AALDH1A1MAPTCMA1
SCHEMBL27551867 0.76 MAPT (0.43) MEN1KMT2AALDH1A1MAPTCMA1
SCHEMBL14037658 0.76 CYP19A1 (0.47)
SCHEMBL7014779 0.76 SIGMAR1 (0.59) MEN1KMT2APTGDR2SIGMAR1
SCHEMBL14359249 0.73 CYP19A1 (0.42)
SCHEMBL10554963 0.72 CYP19A1 (0.79) MEN1KMT2AALDH1A1MAPTCMA1
SCHEMBL5334247 0.72 ALDH1A1 (0.51) KMT2AALDH1A1PTGDR2

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-2012002913-A1 PROCESS OF FORMING A CYCLIC IMIDE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 WO disclosed