SCHEMBL8029031

SCHEMBL8029031

CN(CCNCCCCCCO)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 2/20 0.44
KDM4E B2RXH2 2/20 0.43
BCHE P06276 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
CHRM2 P08172 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 1/20 0.40
REN P00797 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39

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
SCHEMBL8032634 0.95 MEN1 (0.46) MEN1KMT2AKCNH2KDM4EBCHE
SCHEMBL8030791 0.94 MEN1 (0.45) MEN1KMT2AKCNH2KDM4EBCHE
SCHEMBL8034855 0.94 MEN1 (0.45) MEN1KMT2AKCNH2KDM4EBCHE
SCHEMBL7986744 0.94 MEN1 (0.45) MEN1KMT2AKCNH2KDM4EBCHE
SCHEMBL8034871 0.90 MEN1 (0.49) MEN1KMT2AKCNH2KDM4EBCHE
SCHEMBL8029043 0.89 MEN1 (0.50) MEN1KMT2AKCNH2KDM4EBCHE
SCHEMBL8029013 0.87 ALDH1A1 (0.47) MEN1KMT2AKDM4EBCHESIGMAR1
SCHEMBL8030659 0.87 ALDH1A1 (0.47) MEN1KMT2AKDM4EBCHESIGMAR1
SCHEMBL7986638 0.87 ALDH1A1 (0.47) MEN1KMT2AKDM4EBCHESIGMAR1
SCHEMBL8019508 0.86 KCNH2 (0.43) MEN1KMT2AKCNH2KDM4EBCHE

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
EP-0797579-B1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON SPA (IT) 2000-03-15 EP disclosed