SCHEMBL28758293

SCHEMBL28758293

CC(C)(C)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
HTT P42858 2/20 0.65
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA7 P43166 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
GAA P10253 1/20 0.61
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTR2B P41595 1/20 0.60
MAPK14 Q16539 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 1/20 0.57
NPBWR1 P48145 1/20 0.57
MCHR1 Q99705 1/20 0.57

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
SCHEMBL10719972 0.89 HTT (0.78) MEN1KMT2AHTTCA12CA1
SCHEMBL7232379 0.86 HTT (0.73) MEN1KMT2AHTTCA12CA1
SCHEMBL17886758 0.86 ALDH1A1 (0.54) MEN1KMT2AHTTCA12CA1
SCHEMBL29941294 0.85 HTT (0.69) MEN1KMT2AHTTCA12CA1
SCHEMBL7238728 0.84 HTT (0.70) HTTCA12CA1CA2CA7
SCHEMBL6570865 0.83 HTT (0.66) MEN1KMT2AHTTCA12CA1
SCHEMBL17730097 0.83 HTT (0.69) MEN1KMT2AHTTCA12CA1
SCHEMBL7238944 0.83 CA12 (0.73) MEN1KMT2AHTTCA12CA1
SCHEMBL95918 0.83 HTT (0.69) MEN1KMT2AHTTCA12CA1
SCHEMBL3455691 0.83 HTT (0.69) MEN1KMT2AHTTCA12CA1

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-114591222-A Method for efficiently preparing fluoro-alkene amide 江南大学 2022-06-07 CN disclosed