SCHEMBL29956909

SCHEMBL29956909

O=C(c1ccccc1B(O)O)N1CCC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.64
TSHR P16473 2/20 0.57
RECQL P46063 1/20 0.57
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 2/20 0.47
TP53BP1 Q12888 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4443752 0.96 TSHR (0.62) HTTTSHRRECQLKMT2ASMN1; SMN2
SCHEMBL29954605 0.92 HTT (0.58) HTTTSHRRECQLKMT2ASMN1; SMN2
SCHEMBL6411599 0.86 L3MBTL1 (0.69) HTTTSHRRECQLKMT2AL3MBTL1
SCHEMBL3758627 0.84 ALDH1A1 (0.63) HTTTSHRKMT2ASMN1; SMN2HPGD
SCHEMBL29956307 0.84 ALDH1A1 (0.63) HTTTSHRKMT2ASMN1; SMN2HPGD
SCHEMBL1743230 0.83 ACHE (0.61) HTTKMT2ASMN1; SMN2L3MBTL1HPGD
SCHEMBL10720608 0.80 TSHR (0.69) HTTTSHRRECQLKMT2ASMN1; SMN2
SCHEMBL13162411 0.79 HTT (0.96) HTTKMT2AHPGDALDH1A1
SCHEMBL14825166 0.78 HTT (1.00) HTTKMT2AHPGDALDH1A1
SCHEMBL29940966 0.77 HTT (0.62) HTTTSHRRECQLKMT2ASMN1; SMN2

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