SCHEMBL31333086

SCHEMBL31333086

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.51
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.47
MAOB P27338 1/20 0.47
KCNH2 Q12809 1/20 0.47
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HSD17B13 Q7Z5P4 1/20 0.46
KDM4C Q9H3R0 1/20 0.45
NR3C2 P08235 1/20 0.45

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
SCHEMBL31333022 0.84 ROCK2 (0.44) ROCK2ROCK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL31333025 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL7974034 0.81 ATM (0.48) ATMROCK2ROCK1ALDH1A1KDM4E
SCHEMBL31333074 0.78 TP53 (0.53) ROCK2ROCK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL31333078 0.77 GRM2 (0.47) KDM4ESMN1; SMN2MAPTKCNH2LMNA
SCHEMBL31333054 0.77 ALDH1A1 (0.47) ATMALDH1A1KDM4EMAOBNR3C2
SCHEMBL31333091 0.76 ADRA1D (0.51) ALDH1A1KDM4ESMN1; SMN2LMNAHSD17B13
SCHEMBL31333084 0.76 CA5A (0.52) ROCK2KCNH2KDM4C
SCHEMBL27645551 0.75 ATM (0.50) ATMALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL31333071 0.75 CCNC (0.45) ALDH1A1KDM4ERXFP1HSD17B13KDM4C

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