SCHEMBL31333083

SCHEMBL31333083

NC(=O)c1cc(=O)n(Cc2ccc(F)cc2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AURKB Q96GD4 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
HDAC6 Q9UBN7 3/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM2 Q14416 1/20 0.38
MAPK14 Q16539 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
MAPK8 P45983 1/20 0.38
FSCN1 Q16658 1/20 0.37
SLC29A1 Q99808 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL31333082 0.90 ROCK2 (0.39) PTGDR2GRM2MAPK8SLC29A1
SCHEMBL31333075 0.85 MAPT (0.45) PPARGKDM4EKDM4C
SCHEMBL31333078 0.82 GRM2 (0.47) HDAC6KDM4ESMN1; SMN2GRM2MAPK14
SCHEMBL9714527 0.80 GRM2 (0.43) AURKARPS6KB1AURKBKDM4ESMN1; SMN2
SCHEMBL31333022 0.79 ROCK2 (0.44) SMN1; SMN2GRM2MAPK14KDM4C
SCHEMBL31333084 0.78 CA5A (0.52) PTGDR2GRM2MAPK14KDM4C
SCHEMBL31333065 0.76 CYP2C19 (0.40) KDM4ESLC29A1
SCHEMBL31333037 0.75 SMN1; SMN2 (0.51) SMN1; SMN2
SCHEMBL9714594 0.75 GPBAR1 (0.55) PPARGAURKARPS6KB1AURKBHDAC6
SCHEMBL31333054 0.74 ALDH1A1 (0.47) PPARGAURKARPS6KB1AURKBHDAC6

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-119320386-A METTL3 inhibitor, preparation method and application thereof 郑州大学第一附属医院 2025-01-17 CN disclosed