SCHEMBL31333022

SCHEMBL31333022

NC(=O)c1cc(=O)n(Cc2cccc(F)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
MAOB P27338 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PDE1C Q14123 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B13 Q7Z5P4 1/20 0.43
GRM2 Q14416 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
THRB P10828 1/20 0.42
MMP13 P45452 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42

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
SCHEMBL31333078 0.85 GRM2 (0.47) MAPTSMN1; SMN2GRM2THRBMMP13
SCHEMBL31333025 0.84 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2MMP13PIK3CD
SCHEMBL31333086 0.84 ATM (0.51) ROCK2ROCK1MAOBMAPTALDH1A1
SCHEMBL3524356 0.82 HSD17B13 (0.47) ROCK2ROCK1PDE1CMAPTALDH1A1
SCHEMBL31333084 0.81 CA5A (0.52) ROCK2GRM2KDM4CMAPK14
SCHEMBL31333074 0.81 TP53 (0.53) ROCK2ROCK1MAPTALDH1A1SMN1; SMN2
SCHEMBL15965384 0.80 KDM4C (0.57) MAOBPARP10ALDH1A1SMN1; SMN2GRM2
SCHEMBL31333091 0.79 ADRA1D (0.51) ALDH1A1SMN1; SMN2HSD17B13MMP13CYP11B1
SCHEMBL7974168 0.79 CDK9 (0.45) ROCK2ROCK1MAOBPARP10MAPT
SCHEMBL31333082 0.79 ROCK2 (0.39) ROCK2GRM2

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