SCHEMBL28494646

SCHEMBL28494646

COc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
HPGD P15428 1/20 0.65
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 1/20 0.60
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
GPR119 Q8TDV5 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
POLB P06746 2/20 0.56
GAA P10253 1/20 0.56
DRD2 P14416 3/20 0.56

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
SCHEMBL13872055 0.90 KMT2A (0.68) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL8252454 0.86 KMT2A (0.72) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL5536842 0.86 KMT2A (0.69) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL20631562 0.86 HPGD (0.86) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL23085963 0.85 ALDH1A1 (0.68) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3902704 0.85 KMT2A (0.67) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL5537347 0.85 KMT2A (0.70) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL3900270 0.85 KMT2A (0.70) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL29188760 0.85 KMT2A (0.70) MEN1KMT2AHPGDALDH1A1GPR119
SCHEMBL22127506 0.85 MAPT (0.61) MEN1KMT2AHPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820287-A Magnolol derivative, and preparation method and application thereof 中国药科大学 2024-04-05 CN disclosed
CN-107226808-B Tankyrase inhibitors 北京四环制药有限公司 2021-01-01 CN disclosed
CN-107226807-B Tankyrase inhibitors 北京四环制药有限公司 2021-01-01 CN disclosed