SCHEMBL8767015

SCHEMBL8767015

CC(=O)N(CCc1ccccn1)C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.45
CYP1A2 P05177 2/20 0.38
IDH1 O75874 5/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
FDPS P14324 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RECQL P46063 1/20 0.36

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
SCHEMBL8766586 0.88 MEN1 (0.43) MEN1KMT2AGAACYP1A2IDH1
SCHEMBL8766605 0.81 FDPS (0.41) MEN1KMT2AGAAFDPSRECQL
SCHEMBL8767353 0.77 MEN1 (0.49) MEN1KMT2AGAACYP1A2KDM4E
SCHEMBL8766505 0.70 MEN1 (0.39) MEN1KMT2AGAAFDPSRECQL
SCHEMBL8766589 0.70 GAA (0.47) MEN1KMT2AGAACYP1A2IDH1
SCHEMBL8014329 0.69 MEN1 (0.51) MEN1KMT2AGAACYP1A2IDH1
SCHEMBL9494809 0.69 MEN1 (0.50) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL7125849 0.69 MEN1 (0.45) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL8766187 0.69 HMGCR (0.46) MEN1KMT2AGAAFDPSRECQL
SCHEMBL8766148 0.69 HMGCR (0.46) MEN1KMT2AGAAALDH1A1FDPS

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-0559079-B1 Substituted aminophosphonate derivatives, process for their preparation and pharmaceutical compositions containing them SYMPHAR SA (CH) 1997-08-13 EP claimed