SCHEMBL31156521

SCHEMBL31156521

O=C(c1ccc(Nc2ccc(S(=O)(=O)O)cc2)cc1)c1ccc(Nc2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 2/20 0.57
▸ MAPK12 P53778 2/20 0.57
▸ MAPK11 Q15759 2/20 0.57
▸ MAPK14 Q16539 2/20 0.57
▸ SNCA P37840 2/20 0.50
▸ TIMP3 P35625 1/20 0.47
▸ ITGA1 P56199 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NT5E P21589 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 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
SCHEMBL9154737 0.87 SNCA (0.60) SNCATIMP3MEN1KMT2ALMNA
SCHEMBL11587552 0.87 LMNA (0.56) LMNAALDH1A1TSHRNT5ECA12
SCHEMBL28259506 0.85 LMNA (0.54) LMNAALDH1A1TSHRNT5ECA12
SCHEMBL11320674 0.79 LMNA (0.74) SNCATIMP3LMNAALDH1A1TSHR
SCHEMBL9479439 0.79 SNCA (0.73) MAPK13MAPK12MAPK11MAPK14SNCA
SCHEMBL315795 0.79 SNCA (0.73) MAPK13MAPK12MAPK11MAPK14SNCA
SCHEMBL10968363 0.79 TSHR (0.62) MAPK13MAPK12MAPK11MAPK14ITGA1
Methane SCHEMBL7716131 0.78 TSHR (0.60) MAPK13MAPK12MAPK11MAPK14ITGA1
SCHEMBL9557142 0.78 TSHR (0.60) MAPK13MAPK12MAPK11MAPK14ITGA1
SCHEMBL9229025 0.78 CES1 (0.53) SNCAMEN1KMT2ALMNAALDH1A1

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-2024206707-A1 AZYARIV AND AZYARIV CONJUGATES - NEW TOOLS FOR VISUALIZING AND CHARACTERIZING ARABINOGALACTAN PROTEINS BROWN UNIVERSITY (US) 2024-10-03 — — WO disclosed
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