SCHEMBL29953563

SCHEMBL29953563

CCOc1ncc(B(O)O)c(OCC)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90B1 P14625 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL9591 0.77 QPCT (0.37) MEN1KMT2AALDH1A1GAACYP1A2
SCHEMBL30507920 0.76 RIPK1 (0.33)
SCHEMBL30507918 0.76 RIPK1 (0.33)
SCHEMBL25311766 0.76 RIPK1 (0.33)
SCHEMBL1471867 0.75 KMT2A (0.45) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL3818616 0.75 MEN1 (0.45) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL2724131 0.74 LIPE (0.51) MEN1KMT2AALDH1A1MAPK1CYP1A2
SCHEMBL2723864 0.73 GAA (0.50) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL27036925 0.73 MEN1 (0.44) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL17826393 0.73

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