SCHEMBL24329385

SCHEMBL24329385

CNCCCc1cn(C(C)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
HTR1B P28222 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
CTSK P43235 1/20 0.34
KCNH2 Q12809 1/20 0.34
ATM Q13315 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32

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
SCHEMBL24329384 0.83 SIRT2 (0.41) SIRT2ALDH1A1KDM4E
SCHEMBL4391915 0.80 SIRT2 (0.42) SIRT2HRH3TAAR1
SCHEMBL24329386 0.76 SIRT2 (0.36) SIRT2ALDH1A1KDM4ELMNAALOX15
SCHEMBL4389525 0.75 LMNA (0.47) SIRT2KMT2ALMNA
SCHEMBL2796109 0.71 SIRT2 (0.52) SIRT2
SCHEMBL18991426 0.71 SIRT2 (0.47) SIRT2L3MBTL1
SCHEMBL21981014 0.71 SIRT2 (0.45) SIRT2
SCHEMBL21981005 0.71 SIRT2 (0.45) SIRT2ALDH1A1KDM4E
SCHEMBL2053305 0.71 SIRT2 (0.45) SIRT2
SCHEMBL29357980 0.70 SIRT2 (0.45) SIRT2ALDH1A1SIGMAR1

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
WO-2022079428-A1 LINEAR APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2022-04-21 WO disclosed