SCHEMBL23535145

SCHEMBL23535145

C=CCOc1cc(C(=O)CN2CSC(C)=C2C)c(OC)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.39
KDM4E B2RXH2 2/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
POLB P06746 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LIG1 P18858 1/20 0.33
FLT3 P36888 1/20 0.33
ALDH1A1 P00352 4/20 0.33
TP53 P04637 1/20 0.32
BLM P54132 1/20 0.32
HPGDS O60760 1/20 0.32
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 2/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL23535332 0.88 HPGDS (0.39) KDM4EPOLBL3MBTL1ALDH1A1HPGDS
SCHEMBL23535418 0.84 HTT (0.44) KDM4EPOLBALDH1A1TP53HPGDS
SCHEMBL23535494 0.79 HPGDS (0.51) PDE4BKDM4ECA12CA1CA9
SCHEMBL23535141 0.78 HPGDS (0.39) KDM4EPOLBL3MBTL1ALDH1A1HPGDS
SCHEMBL23535399 0.77 IDO1 (0.34) PDE4BKDM4EPOLBALDH1A1HPGDS
SCHEMBL23535364 0.77 HTT (0.41) KDM4ETP53HTTHPGDMAPT
SCHEMBL23535403 0.77 HPGD (0.52) KDM4EPOLBALDH1A1HPGDSHTT
SCHEMBL23535529 0.76 CA12 (0.45) PDE4BKDM4ECA12CA1CA9
SCHEMBL23535424 0.75 ALDH1A1 (0.38) KDM4ECA12CA9POLBALDH1A1
SCHEMBL23535478 0.74 HTT (0.42) KDM4ETP53HTTMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021125905-A1 NOVEL THIAZOLE DERIVATIVE AND USE THEREOF 가천대학교 산학협력단 2021-06-24 WO claimed