SCHEMBL11800233

SCHEMBL11800233

CC(=O)Nc1ccc(Sc2c([N+](=O)[O-])cc(C(=O)O)cc2S(N)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ ALDH3A1 P30838 2/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 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
SCHEMBL2879281 0.84 MAPT (0.48) MAPTGAALMNACA12CA1
SCHEMBL11800566 0.84 CA2 (0.45) MAPTGAACA12CA1CA2
SCHEMBL11783509 0.82 MAPT (0.60) MAPTGAALMNACA12CA1
SCHEMBL11800292 0.79 LMNA (0.60) MAPTGAALMNACA12CA1
Acetanilide SCHEMBL11800242 0.79 L3MBTL1 (0.48) MAPTGAALMNACA12CA1
SCHEMBL11803709 0.78 CA2 (0.39) GAALMNACA12CA1CA2
SCHEMBL2883320 0.78 MAPT (0.49) MAPTGAALMNACA12CA1
SCHEMBL11802086 0.77 CISD1 (0.45) MAPTGAALMNACA12CA1
SCHEMBL11804843 0.77 CA2 (0.38) MAPTGAALMNACA12CA1
SCHEMBL11799351 0.76 CA2 (0.53) LMNACA12CA1CA2CA9

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
US-3992440-A DIURETICS CIBA-GEIGY CORPORATION (US) 1976-11-16 — — US disclosed
US-3982018-A DIURETICS CIBA-GEIGY CORPORATION (US) 1976-09-21 — — US disclosed
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