SCHEMBL29201441

SCHEMBL29201441

C=Cc1ccc(-c2ccccc2)c(C(=O)NC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 7/20 0.49
CHEK1 O14757 2/20 0.42
RET P07949 1/20 0.42
PDGFRB P09619 1/20 0.42
PIM1 P11309 1/20 0.42
PDGFRA P16234 1/20 0.42
GSK3B P49841 1/20 0.42
RPS6KA3 P51812 1/20 0.42
LIMK1 P53667 1/20 0.42
CDK5 Q00535 1/20 0.42
TYRO3 Q06418 1/20 0.42
MAPK14 Q16539 1/20 0.42
LRRK2 Q5S007 1/20 0.42
AURKB Q96GD4 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
PLK1 P53350 2/20 0.42
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40

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
SCHEMBL30992201 0.83 FOLH1 (0.53) MCL1
SCHEMBL29971164 0.82 CHRNB2 (0.45) KCNA3PLK1CHRNB2CHRNB4CHRNA3
SCHEMBL20814166 0.78 MCL1 (0.47) PLK1MCL1GAA
SCHEMBL29201416 0.78 KCNA3 (0.53) KCNA3CHEK1RETPDGFRBPIM1
SCHEMBL3223294 0.76 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4FGFR1
SCHEMBL27912384 0.73 MCL1 (0.44) MCL1HDAC7
SCHEMBL17201241 0.72 GAA (0.51) PLK1MCL1GAA
SCHEMBL3757526 0.71 ALDH1A1 (0.48) MCL1
SCHEMBL8758668 0.71 ESR2 (0.53)
SCHEMBL30309544 0.70 ALDH1A1 (0.39)

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-114835599-B Preparation method of o-aryl benzamide compound 绍兴久孚新材料科技有限公司 2024-05-03 CN disclosed