SCHEMBL27668124

SCHEMBL27668124

CC(C)C(=O)c1sc(NC(=O)OC(C)(C)C)nc1-c1ccco1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.47
ADORA1 P30542 5/20 0.47
LCK P06239 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.45
HSP90AA1 P07900 1/20 0.45
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.44
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
PKM P14618 1/20 0.43
USP2 O75604 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
SCHEMBL1256069 0.88 ADORA2A (0.52) ADORA2AADORA1LCKL3MBTL1HSP90AA1
SCHEMBL27647745 0.87 LCK (0.48) ADORA2AADORA1LCKL3MBTL1HSP90AA1
SCHEMBL27647708 0.84 L3MBTL1 (0.48) ADORA2AADORA1LCKL3MBTL1HSP90AA1
SCHEMBL1256328 0.84 ADORA2A (0.55) ADORA2AADORA1L3MBTL1HSP90AA1KDM4E
SCHEMBL27668139 0.84 ADORA2A (0.69) ADORA2AADORA1ALDH1A1LMNAMAPT
SCHEMBL27647702 0.84 LCK (0.46) ADORA2AADORA1LCKL3MBTL1HSP90AA1
SCHEMBL27668182 0.83 KDM4E (0.51) ADORA2AADORA1LCKL3MBTL1HSP90AA1
SCHEMBL1254127 0.83 MEN1 (0.57) ADORA2AADORA1LCKL3MBTL1KDM4E
SCHEMBL1256213 0.82 KDM4E (0.45) ADORA2AADORA1LCKL3MBTL1HSP90AA1
SCHEMBL27668150 0.82 ADORA2A (0.57) ADORA2AADORA1LCKALDH1A1LMNA

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-1902196-B Thiazole derivatives KYOWA HAKKO KOGYO KK 2010-12-29 CN disclosed
CN-1902196-A Thiazole derivatives KYOWA HAKKO KOGYO KK (JP) 2007-01-24 CN disclosed