SCHEMBL29952373

SCHEMBL29952373

O=C(Nc1cccs1)c1ccc(B(O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.53
TRPV1 Q8NER1 4/20 0.51
NAMPT P43490 1/20 0.49
GAA P10253 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HSD17B10 Q99714 4/20 0.44
RAB9A P51151 4/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
ALOX15 P16050 2/20 0.42
TP53 P04637 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL3559655 0.81 MEN1 (0.60) GBA1NAMPTGAAMEN1KMT2A
SCHEMBL20389106 0.80 MEN1 (0.55) GBA1NAMPTGAAMEN1KMT2A
SCHEMBL3914463 0.78 NAMPT (0.63) GBA1NAMPTGAAMEN1KMT2A
SCHEMBL20379964 0.75 MAPT (0.63) GBA1GAAMEN1KMT2ARAB9A
SCHEMBL29611829 0.74 PTPN1 (0.58) GBA1NAMPTGAAMEN1KMT2A
SCHEMBL387376 0.73 TRPV1 (0.81) TRPV1MEN1KMT2ARAB9AHTT
SCHEMBL18825696 0.72 NAMPT (0.50) GBA1NAMPTGAAMEN1KMT2A
SCHEMBL2557984 0.72 RAB9A (0.68) MEN1KMT2AHSD17B10RAB9ALMNA
SCHEMBL6328024 0.72 GBA1 (0.57) GBA1NAMPTGAAMEN1KMT2A
SCHEMBL14394393 0.72 NPC1 (0.69) MEN1KMT2ARAB9AHTTLMNA

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