SCHEMBL31441925

SCHEMBL31441925

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(I)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.68
CA12 O43570 1/20 0.68
CA9 Q16790 1/20 0.68
MAPT P10636 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CA1 P00915 1/20 0.56
HTT P42858 1/20 0.54
ALDH1A1 P00352 2/20 0.53
FFAR4 Q5NUL3 2/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TYMS P04818 1/20 0.51
KDM1A O60341 1/20 0.51

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
SCHEMBL4948723 0.82 HTR6 (0.72) CA2CA12CA9MAPTMEN1
SCHEMBL7808167 0.82 CA2 (0.68) CA2CA12CA9MAPTMEN1
SCHEMBL11438518 0.82 CA2 (0.68) CA2CA12CA9MAPTMEN1
SCHEMBL2243550 0.82 CA2 (0.68) CA2CA12CA9MAPTMEN1
SCHEMBL21497057 0.82 CA2 (0.68) CA2CA12CA9MAPTMEN1
SCHEMBL18739152 0.82 CA2 (0.68) CA2CA12CA9MAPTMEN1
SCHEMBL9208267 0.81 CA2 (0.71) CA2CA12CA9MAPTMEN1
SCHEMBL2690296 0.81 KEAP1 (0.66) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL2242888 0.81 CA2 (1.00) CA2CA12CA9MAPTMEN1
SCHEMBL16900686 0.80 CA12 (0.65) CA2CA12CA9MEN1KMT2A

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
WO-2025053850-A1 COVALENT KRAS-BINDING COMPOUNDS FOR MEDICAL TREATMENT HYKU BIOSCIENCES INC. (US) 2025-03-13 WO disclosed