SCHEMBL28601342

SCHEMBL28601342

CCS(=O)(=O)OC1CN(c2ccc(C#N)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.44
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
HTR7 P34969 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
GRM2 Q14416 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
ELANE P08246 1/20 0.39
GRIA2 P42262 1/20 0.38
KCNH2 Q12809 1/20 0.38
JAK2 O60674 1/20 0.38
EGLN2 Q96KS0 1/20 0.37
ACACB O00763 1/20 0.36
GPR119 Q8TDV5 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
SCHEMBL29059345 0.81 GHSR (0.36) KDM4EACACB
SCHEMBL29090650 0.80 GPR119 (0.47) KDM4EGPR119
SCHEMBL28593069 0.77 MEN1 (0.38)
SCHEMBL28601340 0.76 HRH3 (0.43) HRH3CHRNA10CHRNA9HTR7TMEM97
SCHEMBL19571344 0.74 HRH3 (0.44) HRH3CHRNA10CHRNA9HTR7TMEM97
SCHEMBL21020102 0.73 CHRNA10 (0.51) HRH3CHRNA10CHRNA9HTR7TMEM97
SCHEMBL6132771 0.71 KDM4E (0.50) HRH3CHRNA10CHRNA9KDM4ETP53
SCHEMBL19570981 0.71 HRH3 (0.55) HRH3CHRNA10CHRNA9HTR7TMEM97
SCHEMBL31753433 0.68 HRH3 (0.49) HRH3CHRNA10CHRNA9HTR7TMEM97
SCHEMBL6134370 0.68 CHRNA10 (0.52) HRH3CHRNA10CHRNA9KDM4ETP53

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