SCHEMBL10017869

SCHEMBL10017869

CC(=O)NC(=N)NCCCCNC(=N)NCCCCNC(=N)NCCCCNC(=N)NCCCCN

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 0.60
HIF1A Q16665 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
KDM4A O75164 1/20 0.37
TET2 Q6N021 1/20 0.37
DOHH Q9BU89 1/20 0.37
SLC6A5 Q9Y345 2/20 0.36
ADRA1A P35348 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL38658712 0.98 PAOX (0.62) PAOXHIF1AKDM4EMAPK1SIRT6
SCHEMBL16392579 0.81 EPHX1 (0.52) PAOXHIF1AKDM4EMAPK1DPP7
SCHEMBL22484276 0.80 PAOX (0.50) PAOXGNAI3GNAO1GNAI1MAOA
SCHEMBL13256393 0.80 PAOX (0.50) PAOXGNAI3GNAO1GNAI1MAOA
SCHEMBL23383701 0.80 PAOX (0.54) PAOXGNAI3GNAO1GNAI1MAOA
SCHEMBL18049513 0.80 CA12 (0.50) PAOXMAOAMAOBLMNASMN1; SMN2
SCHEMBL10309189 0.79 EPHX1 (0.55) PAOXHIF1AKDM4EMAPK1
SCHEMBL16392665 0.79 EPHX1 (0.47) PAOXHIF1AKDM4EMAPK1
SCHEMBL5820192 0.79 KDM4E (0.43) PAOXHIF1AKDM4EMAPK1ADRA1A
SCHEMBL361286 0.78

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-2468718-A1 Cabanillasin, a new antifungal compound, produced by entomopathogenic xenorhabdus cabanillasii Nosopharm (FR) 2012-06-27 EP disclosed