SCHEMBL31461659

SCHEMBL31461659

CC(C)(C)OC(=O)NCc1nc2cnc3ccccc3c2o1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
BRD4 O60885 5/20 0.43
ACACB O00763 6/20 0.42
ACACA Q13085 4/20 0.42
CYP1A2 P05177 1/20 0.42
KDM4A O75164 1/20 0.41
BCHE P06276 1/20 0.41
NAMPT P43490 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
SCHEMBL23037638 0.85 EGFR (0.40) KDM4A
SCHEMBL31579912 0.76 NPSR1 (0.39) CYP1A2KDM4ABCHENAMPT
SCHEMBL3638074 0.74 KDM4A (0.52) MEN1NPC1GAARAB9AKMT2A
SCHEMBL11823531 0.74 ELANE (0.40) ELANEMEN1KMT2A
SCHEMBL31461694 0.73 RAB9A (0.44) ELANENPC1RAB9AKMT2A
SCHEMBL5765002 0.72 ELANE (0.42) ELANE
SCHEMBL30759244 0.72 LATS1 (0.46) GAARAB9AACACBACACAKDM4A
SCHEMBL9398123 0.72 ELANE (0.56) ELANE
SCHEMBL14288481 0.71 MEN1 (0.41) MEN1NPC1GAARAB9AKMT2A
SCHEMBL29947676 0.70 HDAC1 (0.48) MEN1NPC1GAARAB9AKMT2A

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-2025024543-A1 TRICYCLIC UBE2K MODULATORS AND METHODS FOR THEIR USE BPGBIO, INC. (US) 2025-01-30 WO disclosed