SCHEMBL30225367

SCHEMBL30225367

CN(CC(=O)O)c1nc(-c2cc(OCCOC3CCCCO3)ccn2)nc2c1CCC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4C Q9H3R0 2/20 0.35
HDAC1 Q13547 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
SPR P35270 1/20 0.33
PPARD Q03181 9/20 0.33
PPARA Q07869 9/20 0.33
LNPEP Q9UIQ6 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL23976269 1.00 MEN1 (0.41) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL23976268 0.91 MEN1 (0.37) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL30225198 0.91 MEN1 (0.37) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL30118714 0.90 MEN1 (0.37) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL23975778 0.90 MEN1 (0.37) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL23975872 0.90 LMNA (0.39) MEN1KMT2ANPC1RAB9AHDAC1
SCHEMBL30225292 0.90 LMNA (0.39) MEN1KMT2ANPC1RAB9AHDAC1
SCHEMBL23976646 0.88 MEN1 (0.35) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL30225268 0.88 MEN1 (0.35) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL23976665 0.85 NPC1 (0.34) MEN1KMT2ANPC1RAB9AKDM4C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4142732-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS Global Blood Therapeutics, Inc. (US) 2023-03-08 EP disclosed
EP-4143178-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS Global Blood Therapeutics, Inc. (US) 2023-03-08 EP disclosed