SCHEMBL7463285

SCHEMBL7463285

CN(C)c1cccc(CN2CC(=O)SC2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
GSK3B P49841 1/20 0.36
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CTSD P07339 3/20 0.35
BACE1 P56817 3/20 0.35
MCHR1 Q99705 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PMM2 O15305 1/20 0.34

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
SCHEMBL7460973 0.81 MGLL (0.40) KMT2AMEN1POLBCHRM3ALDH1A1
SCHEMBL7462955 0.81 MEN1 (0.56) HDAC1HDAC6KMT2AMEN1POLB
SCHEMBL3115953 0.77 ALDH1A1 (0.51) KMT2AL3MBTL1MEN1POLBGSK3B
SCHEMBL7463278 0.72 GSK3A (0.61) HDAC1HDAC6KMT2AMEN1POLB
SCHEMBL7469357 0.72 KCNN4 (0.47) GRIN2B
SCHEMBL3846036 0.68 ALDH1A1 (0.62) KMT2AL3MBTL1MEN1CHRM3ALDH1A1
SCHEMBL28763499 0.67 ALDH1A1 (0.42) HDAC1HDAC6KMT2AL3MBTL1ALDH1A1
SCHEMBL7051934 0.66 ALDH1A1 (0.48) HDAC1HDAC6KMT2AL3MBTL1ALDH1A1
SCHEMBL7050527 0.66 HDAC1 (0.49) HDAC1HDAC6KMT2AL3MBTL1MEN1
SCHEMBL11861528 0.66 HDAC1 (0.60) HDAC1HDAC6KMT2AL3MBTL1ALDH1A1

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
EP-1214305-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF INFLAMMATION Maxia Pharmaceuticals, Inc. (US) 2002-06-19 EP claimed
WO-2001016123-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF INFLAMMATION MAXIA PHARMACEUTICALS, INC. (US) 2001-03-08 WO claimed