SCHEMBL28364516

SCHEMBL28364516

Cc1ccc(N2CCN(CC(=O)c3cc4c(s3)SC(C)(C)CC4=O)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
PKM P14618 1/20 0.39
SLC27A1 Q6PCB7 2/20 0.39
GFER P55789 1/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
GAA P10253 1/20 0.37
DRD4 P21917 2/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36
RAB9A P51151 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
SCHEMBL28364424 0.91 POLB (0.45) MAPTALDH1A1MAPK1PKMGFER
SCHEMBL28884420 0.91 ALDH1A1 (0.39) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL28368248 0.91 ALDH1A1 (0.51) MAPTALDH1A1MAPK1SLC27A1HTT
SCHEMBL28367955 0.91 MAPT (0.42) MAPTALDH1A1MAPK1SLC27A1MEN1
SCHEMBL28368239 0.89 KMT2A (0.48) MAPTMAPK1GFERMEN1KMT2A
SCHEMBL28364655 0.89 ALDH1A1 (0.41) MAPTALDH1A1MAPK1CA1CA2
SCHEMBL28368628 0.86 KCNA5 (0.40) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL28364406 0.85 ADAMTS5 (0.42) MAPTALDH1A1MAPK1HTTMEN1
SCHEMBL28400024 0.85 LMNA (0.43) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL28364477 0.82 ALDH1A1 (0.47) MAPTALDH1A1MAPK1MEN1KMT2A

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