SCHEMBL28575173

SCHEMBL28575173

CCC(=O)Nc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
GAA P10253 2/20 0.66
ALOX5 P09917 7/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
VCP P55072 2/20 0.65
DEGS1 O15121 1/20 0.65
MAP4K4 O95819 1/20 0.65
CYP3A4 P08684 1/20 0.65
AMY1A P0DUB6 1/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
MAPKAPK2 P49137 1/20 0.65
PIM3 Q86V86 1/20 0.65
MINK1 Q8N4C8 1/20 0.65
SPHK2 Q9NRA0 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
SPHK1 Q9NYA1 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.64

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
SCHEMBL28583306 0.89 NPC1 (0.69) MAPTGAAALOX5MEN1KMT2A
SCHEMBL28575303 0.88 MAPT (0.66) MAPTGAAALOX5MEN1KMT2A
SCHEMBL28575151 0.88 ALOX5 (0.69) MAPTGAAALOX5MEN1KMT2A
SCHEMBL28594556 0.88 CSNK2A1 (0.67) MAPTGAAALOX5MEN1KMT2A
SCHEMBL14085829 0.87 MAPT (0.75) MAPTGAAMEN1KMT2AALOX15
SCHEMBL28583387 0.87 ALOX5 (0.67) MAPTGAAALOX5MEN1KMT2A
SCHEMBL28580584 0.86 ABL1 (0.76) MAPTGAAALOX5MEN1KMT2A
SCHEMBL28572918 0.86 ABL1 (0.63) MAPTGAAMEN1KMT2AVCP
SCHEMBL28579111 0.85 MAPT (0.59) MAPTGAAALOX5MEN1KMT2A
SCHEMBL28575126 0.85 ALOX5 (0.64) MAPTGAAALOX5MEN1KMT2A

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
CN-113004219-A Thiazole ring-containing amide compound and preparation method and application thereof 贵州大学 2021-06-22 CN disclosed