SCHEMBL31333084

SCHEMBL31333084

NC(=O)c1cc(=O)n(Cc2c(F)cccc2F)cn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.52
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
PDE4A P27815 1/20 0.36
PDE7A Q13946 1/20 0.36
C1S P09871 4/20 0.36
KCNH2 Q12809 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
GRM2 Q14416 2/20 0.35
FLT3 P36888 1/20 0.35
HDAC1 Q13547 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ROCK2 O75116 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL31333042 0.91 CA5A (0.44) CA5ATSHRMAPK1PTGDR2GRM2
SCHEMBL31333075 0.85 MAPT (0.45) PDE4AKDM4C
SCHEMBL31333022 0.81 ROCK2 (0.44) GRM2KDM4CROCK2MAPK14
SCHEMBL9714155 0.79 CA5A (0.47) CA5AOPRM1OPRD1ADORA2AADORA1
SCHEMBL31333078 0.79 GRM2 (0.47) KCNH2GRM2HDAC1MAPK14
SCHEMBL31333083 0.78 PPARG (0.40) PTGDR2GRM2KDM4CMAPK14
SCHEMBL31333082 0.78 ROCK2 (0.39) C1SPTGDR2GRM2ROCK2
SCHEMBL31333058 0.77 KDM5A (0.43)
SCHEMBL9714294 0.77 CA5A (0.48) CA5AOPRM1OPRD1ADORA2AADORA1
SCHEMBL9714146 0.77 CA5A (0.58) CA5AOPRM1OPRD1GRM2KDM4C

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