SCHEMBL29953518

SCHEMBL29953518

Cc1sc(-c2ccccc2)cc1B(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.42
MAPT P10636 7/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
RAB9A P51151 5/20 0.40
GAA P10253 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HSD17B1 P14061 3/20 0.40
HSD17B2 P37059 2/20 0.40
PLA2G10 O15496 1/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
NPC1 O15118 3/20 0.39
HSD17B10 Q99714 2/20 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
SCHEMBL3781726 0.81 HSD17B1 (0.45) MGLLMAPTKDM4ELMNAPKM
SCHEMBL3786148 0.79 GAA (0.54) MGLLMAPTKDM4ELMNAPKM
SCHEMBL11888379 0.76 HSD17B1 (0.47) MAPTKDM4ELMNAPKMRXFP1
SCHEMBL114000 0.75 HSD17B1 (0.47) MAPTKDM4ELMNAPKMRXFP1
SCHEMBL10205947 0.74 PLA2G10 (0.49) MAPTKDM4ELMNAPKMRXFP1
SCHEMBL23447125 0.73 CYP1A2 (0.42) MAPTKDM4ERAB9AHSD17B1ALDH1A1
SCHEMBL6232939 0.72 MAPT (0.56) MAPTKDM4ELMNAPKMRXFP1
SCHEMBL13739868 0.72 MAPT (0.40) MAPTKDM4ELMNAPKMRXFP1
SCHEMBL6812091 0.72 MAPT (0.40) MAPTKDM4ELMNAPKMRXFP1
SCHEMBL31181950 0.72 GAA (0.54) MAPTKDM4ELMNAPKMRXFP1

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