SCHEMBL11847173

SCHEMBL11847173

COc1cccc(Nc2c([N+](=O)[O-])cc(C(=O)O)cc2S(N)(=O)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.62
▸ HPGD P15428 2/20 0.62
▸ AKR1B10 O60218 1/20 0.54
▸ AKR1B1 P15121 1/20 0.54
▸ AKR1C4 P17516 1/20 0.54
▸ AKR1C3 P42330 1/20 0.54
▸ AKR1C2 P52895 1/20 0.54
▸ AKR1C1 Q04828 1/20 0.54
▸ FBP1 P09467 4/20 0.52
▸ JAK2 O60674 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ GFER P55789 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
SCHEMBL11840178 0.89 MAPT (0.60) MAPTHPGDAKR1B10AKR1B1AKR1C4
SCHEMBL11839665 0.86 MAPT (0.52) MAPTHPGDAKR1B10AKR1B1AKR1C4
SCHEMBL2883308 0.86 HCAR3 (0.55) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11845912 0.84 NPC1 (0.61) MAPTHPGDAKR1C3AKR1C2CA2
SCHEMBL11842723 0.82 MAPT (0.63) MAPTHPGDFBP1GAAMEN1
SCHEMBL11848500 0.82 KMT2A (0.50) MAPTHPGDAKR1C3CA2MEN1
SCHEMBL21436556 0.82 VCAM1 (0.50) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11849835 0.82 AKR1C3 (0.54) MAPTAKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL11849602 0.81 MAPT (0.51) MAPTAKR1C3AKR1C2GAAMEN1
SCHEMBL11843965 0.81 MAPT (0.51) MAPTAKR1C3AKR1C2FBP1GAA

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-3985777-A Sulphamyl-benzoic acid derivatives LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1976-10-12 — — US disclosed
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