SCHEMBL28627573

SCHEMBL28627573

Cc1ccc(-c2csc(=Nc3ccc(C(F)(F)F)cc3)[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.44
NPC1 O15118 1/20 0.44
IDO1 P14902 1/20 0.44
RAB9A P51151 1/20 0.44
NPBWR1 P48145 1/20 0.36
SSTR3 P32745 1/20 0.35
KIF11 P52732 2/20 0.33
SCN2A Q99250 2/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
GCGR P47871 1/20 0.33
MAPK14 Q16539 1/20 0.33
MPI P34949 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL28195733 0.89 GCGR (0.39) MAPTALDH1A1GAANPC1IDO1
SCHEMBL28195676 0.88 MAPT (0.45) MAPTALDH1A1GAAKIF11SCN2A
SCHEMBL28636889 0.86 TRPV1 (0.47) MAPTALDH1A1GAAIDO1KIF11
SCHEMBL28195673 0.86 KIF11 (0.33) MAPTALDH1A1GAAKIF11SCN2A
SCHEMBL28646823 0.86 ALDH1A1 (0.44) MAPTALDH1A1IDO1RAB9AKIF11
SCHEMBL28195066 0.86 SCN2A (0.43) MAPTALDH1A1IDO1NPBWR1KIF11
SCHEMBL28195020 0.86 TP53 (0.38) MAPTRAB9AGSK3BGCGRMAPK14
SCHEMBL28195069 0.85 MAPT (0.47) MAPTALDH1A1GAANPC1IDO1
SCHEMBL28195670 0.83 KIF11 (0.51) MAPTALDH1A1KIF11GCGRMAPK14
SCHEMBL28195054 0.83 NPBWR1 (0.39) IDO1NPBWR1KIF11

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-107625766-B Application of thiazole compound as antibacterial synergist 上海医药工业研究院 2021-08-31 CN disclosed