SCHEMBL9847306

SCHEMBL9847306

COC(=O)[C@H](Cc1c[nH]cn1)NCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIRT2 Q8IXJ6 14/20 0.34
HDAC6 Q9UBN7 4/20 0.33
HDAC1 Q13547 2/20 0.33
ATM Q13315 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
SCHEMBL12329477 0.86 HDAC6 (0.34) SIRT2HDAC6HDAC1ATM
SCHEMBL12199029 0.86 HDAC6 (0.34) SIRT2HDAC6HDAC1ATM
SCHEMBL365025 0.86 CPB2 (0.37)
SCHEMBL29103272 0.84 HDAC6 (0.36) MEN1KMT2ASIRT2HDAC6HDAC1
SCHEMBL4361738 0.84 POLB (0.38) SIRT2HDAC6HDAC1
SCHEMBL2471875 0.84 OPRK1 (0.40) MEN1KMT2AHDAC6HDAC1
SCHEMBL2471870 0.84 OPRK1 (0.40) MEN1KMT2AHDAC6HDAC1
SCHEMBL2059164 0.83 HDAC6 (0.36) MEN1KMT2ASIRT2HDAC6HDAC1
SCHEMBL12765185 0.83 HDAC6 (0.36) MEN1KMT2ASIRT2HDAC6HDAC1
SCHEMBL2059178 0.82 SIRT2 (0.48) MEN1KMT2ASIRT2ATM

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-0412595-A1 Antiherpetic agents MERCK & CO. INC. (US) 1991-02-13 EP disclosed