SCHEMBL21078288

SCHEMBL21078288

C=C(CCOC)CCN(C)CCC

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3CD O00329 1/20 0.32
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
DNM1 Q05193 1/20 0.30

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
SCHEMBL25739503 0.89 MEN1 (0.34) MEN1KMT2APIK3CDKDM5AKDM4C
SCHEMBL25738624 0.87 ALDH1A1 (0.37) MEN1KMT2AKDM5AKDM4CDNM1
SCHEMBL25740863 0.83 KDM5A (0.35) KDM5AKDM4CDNM1
SCHEMBL27413850 0.81 KDM5A (0.35) MEN1KMT2AKDM5AKDM4C
SCHEMBL24242106 0.80 MEN1 (0.39) MEN1KMT2AKDM5AKDM4CDNM1
SCHEMBL7774988 0.78 ALDH1A1 (0.35)
SCHEMBL25147997 0.77 ALDH1A1 (0.38) MEN1KMT2AKDM5AKDM4CDNM1
SCHEMBL735129 0.75
SCHEMBL23507002 0.74 MAOA (0.31)
SCHEMBL27367436 0.74 KDM5A (0.34) KDM5AKDM4CDNM1

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-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed