SCHEMBL2489586

SCHEMBL2489586

CC(C)(O)C1=C(c2ccc(Oc3ccc(F)cc3)nn2)CNC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HRH3 Q9Y5N1 5/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSPB1 P04792 1/20 0.32
MMP13 P45452 2/20 0.31

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
SCHEMBL754173 0.68 ALDH1A1 (0.35) MEN1KMT2AKDM4EHRH3ALDH1A1
SCHEMBL2489587 0.68 MEN1 (0.34) MEN1KMT2AKDM4EHRH3ALDH1A1
SCHEMBL754174 0.67 LIPG (0.46) MEN1KMT2AKDM4EHRH3ALDH1A1
SCHEMBL12937247 0.66 MEN1 (0.53) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL755368 0.64 HRH3 (0.39) MEN1KMT2AKDM4EHRH3ALDH1A1
SCHEMBL753246 0.64 MEN1 (0.59) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL31132915 0.60 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL4023471 0.60 BCAT2 (0.67) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL13729611 0.60 MEN1 (0.48) MEN1KMT2AKDM4EHRH3ALDH1A1
SCHEMBL12967052 0.60 MEN1 (0.48) MEN1KMT2AKDM4EHRH3ALDH1A1

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-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed