SCHEMBL28605437

SCHEMBL28605437

CCOS(=O)(=O)c1ccc(CCNC(=O)N2CC(C)=C(CC)C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
ABCC3 O15438 1/20 0.62
ABCC4 O15439 1/20 0.62
ABCB11 O95342 1/20 0.62
CYP2C9 P11712 1/20 0.62
TBXA2R P21731 1/20 0.62
AKR1C3 P42330 1/20 0.62
AKR1C1 Q04828 1/20 0.62
NR1I3 Q14994 1/20 0.62
HIF1A Q16665 1/20 0.62
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 6/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL5389225 0.90 MEN1 (0.60) KMT2AMEN1ABCC3ABCC4ABCB11
SCHEMBL28623676 0.87 KMT2A (0.64) KMT2AMEN1ABCC3ABCC4ABCB11
SCHEMBL14371709 0.87 MEN1 (0.64) KMT2AMEN1ABCC3ABCC4ABCB11
SCHEMBL19096540 0.85 MEN1 (0.73) KMT2AMEN1ABCC3ABCC4ABCB11
SCHEMBL14521888 0.85 KMT2A (0.69) KMT2AMEN1ABCC3ABCC4ABCB11
SCHEMBL20920719 0.84 MEN1 (0.71) KMT2AMEN1ABCC3ABCC4ABCB11
SCHEMBL14363142 0.84 KMT2A (0.60) KMT2AMEN1ABCC3ABCC4ABCB11
SCHEMBL14544499 0.84 MEN1 (0.63) KMT2AMEN1ABCC3ABCC4ABCB11
SCHEMBL21362689 0.84 MEN1 (0.60) KMT2AMEN1ABCC3ABCC4ABCB11
SCHEMBL8207626 0.84 MEN1 (0.70) KMT2AMEN1ABCC3ABCC4ABCB11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113281423-A Glimepiride impurity and analysis method thereof in Glimepiride bulk drug and preparation 石药集团欧意药业有限公司 2021-08-20 CN claimed
CN-113277971-A Glimepiride impurity and preparation method thereof 石药集团欧意药业有限公司 2021-08-20 CN claimed
CN-113277971-A Glimepiride impurity and preparation method thereof 石药集团欧意药业有限公司 2021-08-20 CN disclosed
CN-113277971-A Glimepiride impurity and preparation method thereof 石药集团欧意药业有限公司 2021-08-20 CN disclosed