SCHEMBL28368239

SCHEMBL28368239

COc1ccc(N2CCN(CC(=O)c3cc4c(s3)SC(C)(C)CC4=O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
GAA P10253 1/20 0.48
P4HB P07237 1/20 0.46
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTR1A P08908 1/20 0.44
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
POLB P06746 2/20 0.43
SOD1 P00441 1/20 0.42
DRD4 P21917 1/20 0.42
REV1 Q9UBZ9 1/20 0.41
USP2 O75604 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL28364516 0.89 MAPT (0.40) KMT2AMEN1GAAMAPTMAPK1
SCHEMBL28368628 0.89 KCNA5 (0.40) KMT2AMEN1GAAP4HBMAPT
SCHEMBL28368248 0.89 ALDH1A1 (0.51) KMT2AMEN1GAAMAPTMAPK1
SCHEMBL28364424 0.89 POLB (0.45) KMT2AMEN1MAPTMAPK1HTR1A
SCHEMBL28884420 0.89 ALDH1A1 (0.39) KMT2AMEN1GAAMAPTMAPK1
SCHEMBL28367955 0.88 MAPT (0.42) KMT2AMEN1MAPTMAPK1TSHR
SCHEMBL28364655 0.86 ALDH1A1 (0.41) MAPTMAPK1POLBDRD4
SCHEMBL28391953 0.85 L3MBTL1 (0.53) KMT2AMEN1GAAMAPTMAPK1
SCHEMBL28364406 0.82 ADAMTS5 (0.42) KMT2AMEN1GAAMAPTMAPK1
SCHEMBL28364477 0.80 ALDH1A1 (0.47) KMT2AMEN1GAAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108484635-B 4H-thieno [2,3-b ] thiopyran-4-one compound and application thereof 沈阳药科大学 2020-01-31 CN claimed
CN-108484635-B 4H-thieno [2,3-b ] thiopyran-4-one compound and application thereof 沈阳药科大学 2020-01-31 CN disclosed