SCHEMBL31717419

SCHEMBL31717419

CC(C)(C)OC(=O)NCc1ccc(COc2cc(N)ccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ NAMPT P43490 2/20 0.46
▸ GAA P10253 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ GRM2 Q14416 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ ATR Q13535 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
SCHEMBL31717105 0.81 HDAC1 (0.48) HDAC1L3MBTL1NAMPTGAAMEN1
SCHEMBL3302605 0.80 CA12 (0.52) BRD4CA1CA2TDP1POLB
SCHEMBL30517251 0.80 CA12 (0.52) BRD4CA1CA2TDP1POLB
SCHEMBL26185851 0.80 HDAC1 (0.66) HDAC1L3MBTL1NAMPTGAACA1
SCHEMBL54834 0.79 EPHX2 (0.55) HDAC1L3MBTL1NAMPTGAABRD4
Hydrochloric Acid SCHEMBL7423300 0.78 EPHX2 (0.54) HDAC1L3MBTL1NAMPTGAABRD4
SCHEMBL337888 0.77 L3MBTL1 (0.48) HDAC1L3MBTL1NAMPTBRD4CA1
SCHEMBL3180689 0.77 L3MBTL1 (0.61) HDAC1L3MBTL1NAMPTGAACA1
SCHEMBL14353276 0.76 HDAC1 (0.50) HDAC1L3MBTL1NAMPTGAABRD4
SCHEMBL10165065 0.76 LOX (0.48) L3MBTL1NAMPTBRD4ATR

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
WO-2025224010-A1 IMPROVED O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE SUBSTRATES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2025-10-30 — — WO disclosed
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