SCHEMBL41712

SCHEMBL41712

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.61
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
LMNA P02545 1/20 0.57
CMA1 P23946 1/20 0.51
CASP3 P42574 2/20 0.51
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
APAF1 O14727 1/20 0.50
GAA P10253 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GSK3A P49840 2/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 2/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL3602720 0.86 ALDH1A1 (0.59) GSK3BKMT2AMEN1SMN1; SMN2GAA
SCHEMBL14825139 0.81 MEN1 (0.67) GSK3BKMT2AMEN1LMNACMA1
SCHEMBL25890038 0.80 ALDH1A1 (0.62) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL29839407 0.79 CMA1 (0.58) GSK3BKMT2AMEN1LMNACMA1
SCHEMBL29158182 0.78 GPBAR1 (0.59) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL29158183 0.78 GPBAR1 (0.59) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL22426256 0.78 MEN1 (0.66) GSK3BKMT2AMEN1LMNASMN1; SMN2
SCHEMBL22426255 0.78 MEN1 (0.66) GSK3BKMT2AMEN1LMNASMN1; SMN2
SCHEMBL12640683 0.77 CYP19A1 (0.62) KMT2ASMN1; SMN2GAAALDH1A1TSHR
SCHEMBL27687644 0.77 KMT2A (0.69) KMT2AMEN1LMNASMN1; SMN2GAA

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