SCHEMBL30729451

SCHEMBL30729451

O=[N+]([O-])c1cnn(-c2cccc(O)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
HSP90AA1 P07900 1/20 0.48
EPHX2 P34913 1/20 0.47
MLLT3 P42568 1/20 0.46
MLLT1 Q03111 1/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
F2 P00734 2/20 0.43
PLAU P00749 2/20 0.43
ELANE P08246 2/20 0.43
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
KEAP1 Q14145 2/20 0.43

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
SCHEMBL22633155 0.82 KEAP1 (0.56) ALDH1A1TSHRHSP90AA1MAPTMEN1
SCHEMBL26696761 0.82 HSP90AA1 (0.48) ALDH1A1TSHRHSP90AA1MAPTMEN1
SCHEMBL16799807 0.82 KEAP1 (0.59) HSP90AA1MAPTMEN1KMT2ARECQL
SCHEMBL224389 0.81 HSP90AA1 (0.62) ALDH1A1HSP90AA1MAPTMEN1KMT2A
SCHEMBL22633267 0.80 EPHX2 (0.62) HSP90AA1EPHX2MAPTMEN1KMT2A
SCHEMBL26696816 0.79 LMNA (0.45) ALDH1A1TSHRHSP90AA1MAPTMEN1
SCHEMBL2120160 0.76 HSP90AA1 (0.47) ALDH1A1HSP90AA1MAPTMEN1KMT2A
SCHEMBL22636605 0.74 EPHX2 (0.54) HSP90AA1EPHX2MEN1KMT2AKEAP1
SCHEMBL29833108 0.73 KEAP1 (0.53) TSHRHSP90AA1MAPTMEN1KMT2A
SCHEMBL25347365 0.73 ALKBH2 (0.61) HSP90AA1MAPTF2PLAUELANE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113717154-B Methods for treating huntington's disease PTC医疗公司 2024-11-15 CN disclosed
CN-110946865-B Methods for treating huntington's disease PTC医疗公司 2024-01-26 CN disclosed