SCHEMBL24832467

SCHEMBL24832467

C/C(N)=N/N=C(\N)c1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
NAMPT P43490 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
GAA P10253 1/20 0.43
HPN P05981 1/20 0.43
EPHX2 P34913 3/20 0.42
NR1H4 Q96RI1 2/20 0.42
HDAC6 Q9UBN7 2/20 0.41
HDAC10 Q969S8 1/20 0.41
GRM2 Q14416 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL26054950 0.85 NAMPT (0.45) HDAC1NAMPTL3MBTL1CA1CA2
SCHEMBL10180239 0.85 NAMPT (0.51) HDAC1NAMPTL3MBTL1CA1CA2
SCHEMBL17684726 0.85 NAMPT (0.51) HDAC1NAMPTL3MBTL1CA1CA2
SCHEMBL17684727 0.85 NAMPT (0.51) HDAC1NAMPTL3MBTL1CA1CA2
SCHEMBL24267754 0.85 NAMPT (0.49) HDAC1NAMPTL3MBTL1CA1CA2
SCHEMBL13979656 0.83 NAMPT (0.49) HDAC1NAMPTL3MBTL1CA1CA2
SCHEMBL8220824 0.82 EPHX2 (0.60) HDAC1NAMPTL3MBTL1CA1CA2
SCHEMBL18300399 0.81 NAMPT (0.47) HDAC1NAMPTL3MBTL1CA1CA2
SCHEMBL18300400 0.81 NAMPT (0.47) HDAC1NAMPTL3MBTL1CA1CA2
SCHEMBL12287138 0.81 CA1 (0.46) HDAC1NAMPTL3MBTL1CA1CA2

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-4218833-A1 LABELING OF ANTIBODIES Whitehead Institute for Biomedical Research (US) 2023-08-02 EP disclosed
EP-3359573-B1 LABELING OF ANTIBODIES THE WHITEHEAD INSTITUTE FOR BIOMEDICAL RES (US) 2023-01-04 EP disclosed