SCHEMBL29953717

SCHEMBL29953717

CC(=O)Nc1cc(C)c(B(O)O)cn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTK2 Q05397 1/20 0.45
PIK3C3 Q8NEB9 9/20 0.44
CRBN Q96SW2 1/20 0.43
ABL1 P00519 1/20 0.42
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
NNMT P40261 1/20 0.39
ADORA3 P0DMS8 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
SCHEMBL2965101 1.00 L3MBTL1 (0.52) L3MBTL1NPC1RAB9ASMN1; SMN2PTK2
SCHEMBL8328931 0.82 L3MBTL1 (0.59) L3MBTL1NPC1RAB9ASMN1; SMN2PTK2
SCHEMBL25345910 0.79 GSK3B (0.45)
SCHEMBL25118045 0.78 PTK2 (0.51) L3MBTL1NPC1RAB9ASMN1; SMN2PTK2
SCHEMBL897009 0.78 PIK3CA (0.50) L3MBTL1NPC1RAB9ASMN1; SMN2PTK2
SCHEMBL358579 0.77 L3MBTL1 (0.53) L3MBTL1NPC1RAB9ASMN1; SMN2PTK2
SCHEMBL7029088 0.77 PTK2 (0.54) L3MBTL1NPC1RAB9ASMN1; SMN2PTK2
SCHEMBL2026558 0.77 L3MBTL1 (0.53) L3MBTL1NPC1RAB9ASMN1; SMN2PTK2
SCHEMBL5908219 0.77 L3MBTL1 (0.53) L3MBTL1NPC1RAB9ASMN1; SMN2PTK2
SCHEMBL20605223 0.76 GABRP (0.54) L3MBTL1NPC1RAB9ASMN1; SMN2PTK2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed