SCHEMBL9655459

SCHEMBL9655459

O=C(CBr)COC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4C Q9H3R0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.30
ICAM1 P05362 1/20 0.30
SELE P16581 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
SCHEMBL9680069 0.89 MEN1 (0.46) MEN1KMT2AKDM4CL3MBTL1ICAM1
SCHEMBL26645794 0.83 KMT2A (0.40) MEN1KMT2AKDM4C
SCHEMBL26817985 0.83 MEN1 (0.42) MEN1KMT2AKDM4CL3MBTL1ICAM1
SCHEMBL10430874 0.83 MEN1 (0.42) MEN1KMT2AKDM4CL3MBTL1ICAM1
SCHEMBL3030136 0.80 MEN1 (0.48) MEN1KMT2AKDM4CL3MBTL1ICAM1
SCHEMBL11864616 0.80 MEN1 (0.40) MEN1KMT2AKDM4C
SCHEMBL10463018 0.79 MEN1 (0.36) MEN1KMT2AKDM4CL3MBTL1
SCHEMBL1338950 0.79 MEN1 (0.43) MEN1KMT2AKDM4CL3MBTL1ICAM1
SCHEMBL3816272 0.79 KMT2A (0.43) MEN1KMT2AKDM4CL3MBTL1ICAM1
SCHEMBL9490603 0.77 MEN1 (0.43) MEN1KMT2AKDM4CL3MBTL1ICAM1

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-0479640-A2 Novel phosphonate derivatives of certain nucleosides MERRELL DOW PHARMACEUTICALS INC. (US) 1992-04-08 EP disclosed
EP-0477454-A1 Novel phosphonate derivatives of certain nucleosides MERRELL DOW PHARMACEUTICALS INC. (US) 1992-04-01 EP disclosed