SCHEMBL28315213

SCHEMBL28315213

Cc1ccc(C(=O)N2CCC(c3ccccc3C#N)CC2)cc1OC=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PROKR1 Q8TCW9 1/20 0.45
HSD11B1 P28845 5/20 0.44
RBP4 P02753 1/20 0.43
FASN P49327 6/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
DRD4 P21917 1/20 0.42
PARP10 Q53GL7 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
SLC9A1 P19634 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL30280876 0.85 PROKR1 (0.47) MEN1KMT2APROKR1FASNALDH1A1
SCHEMBL30280803 0.82 HSD11B1 (0.48) MEN1KMT2APROKR1HSD11B1FASN
SCHEMBL30280881 0.79 PROKR1 (0.55) PROKR1HSD11B1FASNALDH1A1TP53
SCHEMBL4180599 0.77 FASN (0.60) PROKR1FASNDRD4
SCHEMBL30280978 0.76 FASN (0.52) HSD11B1FASNDRD4CYP2D6CYP2C9
SCHEMBL4191691 0.75 FASN (0.67) FASN
SCHEMBL30280844 0.75 FASN (0.57) FASN
SCHEMBL30281041 0.75 FASN (0.55) FASN
SCHEMBL30280729 0.74 FASN (0.49) FASN
SCHEMBL30280849 0.74 FASN (0.54) FASN

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-110177551-A HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V生物科学股份有限公司 2019-08-27 CN disclosed