SCHEMBL30174209

SCHEMBL30174209

Cc1ccc(C(N)=O)c(=O)n1-c1ccncc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CDC7 O00311 3/20 0.39
PIK3R2 O00459 4/20 0.38
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
MYC P01106 3/20 0.34
RPS6KB1 P23443 1/20 0.34
KCNH2 Q12809 1/20 0.34
TGFBR1 P36897 1/20 0.33
DHODH Q02127 1/20 0.33
CDK9 P50750 1/20 0.33
NOTUM Q6P988 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
NNMT P40261 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
SCHEMBL25528985 0.88 MYC (0.42) TDP1MYCDHODHNOTUM
SCHEMBL30174168 0.77 TDP1 (0.44) SIRT3TDP1CDC7MYCCDK9
SCHEMBL30174246 0.76 MKNK1 (0.47) SIRT3TDP1MKNK1MKNK2MYC
SCHEMBL30174233 0.73 TYK2 (0.40) SIRT3TDP1RPS6KB1KDM4E
SCHEMBL29812474 0.73 MYC (0.43) MYCKDM4EHTT
SCHEMBL28288439 0.72 L3MBTL1 (0.50) TDP1MYCNOTUMKDM4E
Hydrochloric Acid SCHEMBL30174221 0.71 NNMT (0.35) PIK3R2MYCTGFBR1NNMT
SCHEMBL30174222 0.71 PDE4B (0.38) TDP1PIK3R2MYC
SCHEMBL30174184 0.71 AGBL2 (0.38) SIRT3TDP1MKNK1MKNK2MYC
SCHEMBL30298673 0.69 TDP1 (0.55) SIRT3TDP1CDC7MKNK1MKNK2

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-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN disclosed