SCHEMBL28114474

SCHEMBL28114474

C=CC(=O)Nc1cc(C)cc(C)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 8/20 0.66
LMNA P02545 2/20 0.50
F13A1 P00488 1/20 0.50
TGM1 P22735 1/20 0.50
TGM3 Q08188 1/20 0.50
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
THRB P10828 1/20 0.47
BTK Q06187 1/20 0.47
EGFR P00533 3/20 0.47
ITK Q08881 1/20 0.47
ERBB2 P04626 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL6880704 0.89 TGM2 (0.58) TGM2LMNAF13A1TGM1TGM3
SCHEMBL16096107 0.87 TGM2 (0.58) TGM2LMNAF13A1TGM1TGM3
SCHEMBL30935106 0.84 TGM2 (0.53) TGM2LMNAF13A1TGM1TGM3
SCHEMBL16053417 0.84 TGM2 (0.64) TGM2LMNAF13A1TGM1TGM3
SCHEMBL18790328 0.83 TGM2 (0.51) TGM2LMNAF13A1TGM1TGM3
SCHEMBL18778619 0.83 TGM2 (0.59) TGM2LMNAHTTEGFR
SCHEMBL27801542 0.82 TGM2 (0.58) TGM2LMNAF13A1TGM1TGM3
SCHEMBL31536255 0.81 TGM2 (0.65) TGM2MEN1KMT2AEGFRITK
SCHEMBL1383747 0.81 TGM2 (0.65) TGM2MEN1KMT2AEGFRITK
SCHEMBL648950 0.79 TGM2 (1.00) TGM2LMNAF13A1TGM1TGM3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116162039-B Synthesis method of visible light mediated butanediamide compound 河南师范大学 2025-02-07 CN disclosed
CN-116162039-A Synthesis method of visible light mediated butanediamide compound 河南师范大学 2023-05-26 CN disclosed
CN-106187803-A The synthetic method of the amides compound that a kind of phosphorus oxychloride promotes 中国人民解放军63975部队 2016-12-07 CN disclosed