SCHEMBL28601340

SCHEMBL28601340

COS(=O)(=O)CC1CN(c2ccc(C#N)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
HTR7 P34969 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
MEN1 O00255 8/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
GRIA2 P42262 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRM2 Q14416 1/20 0.38
ITGAL P20701 1/20 0.36

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
SCHEMBL21020102 0.82 CHRNA10 (0.51) HRH3HTR7TMEM97CHRNA10CHRNA9
SCHEMBL29059217 0.81 GHSR (0.38) MEN1
SCHEMBL28731199 0.81 LMNA (0.46) HTR7TMEM97MEN1KDM4E
SCHEMBL29090649 0.81 GPR119 (0.47) HTR7KDM4EITGAL
SCHEMBL19571344 0.79 HRH3 (0.44) HRH3HTR7TMEM97CHRNA10CHRNA9
SCHEMBL28593067 0.78 MEN1 (0.41) MEN1
SCHEMBL28601342 0.76 HRH3 (0.44) HRH3HTR7TMEM97CHRNA10CHRNA9
SCHEMBL31753332 0.72 HRH3 (0.48) HRH3CHRNA10CHRNA9MEN1KDM4E
SCHEMBL31411802 0.70 CCKAR (0.34)
SCHEMBL19570981 0.70 HRH3 (0.55) HRH3HTR7TMEM97CHRNA10CHRNA9

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-113166059-A Small molecule MENIN inhibitors 密歇根大学董事会 2021-07-23 CN disclosed