SCHEMBL24458098

SCHEMBL24458098

CNC(=O)c1cc(F)cc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 2/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
PARP14 Q460N5 1/20 0.34
PLK1 P53350 2/20 0.34
EIF2S1 P05198 1/20 0.34
EIF2AK3 Q9NZJ5 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
IKBKB O14920 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
MAPK14 Q16539 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 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
SCHEMBL8569593 0.85 GAA (0.48) GAAHDAC1HDAC6CES2CES1
SCHEMBL8566781 0.85 GAA (0.44) GAACES2CES1PARP14PLK1
SCHEMBL1005549 0.80 ALDH1A1 (0.47) GAAHDAC6PLK1ALDH1A1KDM4E
SCHEMBL19121971 0.79 GAA (0.40) GAAHDAC1HDAC6CES2CES1
SCHEMBL24458101 0.78 MAPT (0.46) GAACES2ALDH1A1KDM4EMAPT
SCHEMBL27303784 0.78 SMN1; SMN2 (0.40) CES2CES1ALDH1A1KDM4EHPGD
SCHEMBL1977656 0.78 KDM4E (0.44) GAACES2CES1ALDH1A1KDM4E
SCHEMBL11636186 0.77 GAA (0.48) GAAHDAC1HDAC6CES2CES1
SCHEMBL7980249 0.77 GAA (0.48) GAAHDAC1HDAC6CES2CES1
SCHEMBL24458105 0.77 EZH2 (0.43) GAAALDH1A1KDM4ENPC1RAB9A

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-2022109001-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2022-05-27 WO disclosed