SCHEMBL11806735

SCHEMBL11806735

CC(=O)Nc1ccc(Oc2c(N)cc(C(=O)O)cc2S(N)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.48
▸ LMNA P02545 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ USP2 O75604 2/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ SLC12A2 P55011 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CA1 P00915 4/20 0.48
▸ CA9 Q16790 4/20 0.48
▸ SLC6A4 P31645 1/20 0.47
▸ CA12 O43570 3/20 0.45
▸ POLB P06746 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL11799270 0.89 CA1 (0.43) CA2LMNAALDH1A1KDM4EHPGD
SCHEMBL11801560 0.88 LMNA (0.48) CA2LMNAALDH1A1KDM4EHPGD
SCHEMBL11842237 0.84 PKM (0.51) CA2LMNAALDH1A1KDM4EHPGD
SCHEMBL27787764 0.84 KDM4E (0.51) CA2LMNAALDH1A1KDM4EHPGD
SCHEMBL11800292 0.84 LMNA (0.60) CA2LMNAALDH1A1KDM4EHPGD
SCHEMBL574020 0.82 HSD17B10 (0.64) CA2LMNAALDH1A1KDM4EHPGD
SCHEMBL21436362 0.82 HPGD (0.51) CA2LMNAALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL4751053 0.81 HSD17B10 (0.62) CA2LMNAALDH1A1KDM4EHPGD
SCHEMBL11802068 0.80 CA2 (0.56) CA2LMNAALDH1A1KDM4EHPGD
SCHEMBL11808102 0.80 CA2 (0.61) CA2LMNAALDH1A1KDM4EHPGD

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 3 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
US-3939267-A DIURETIC CIBA-GEIGY CORPORATION (US) 1976-02-17 — — US disclosed
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