SCHEMBL11376533

SCHEMBL11376533

CCCCNc1cc(CN)cc(S(N)(=O)=O)c1Oc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.72
▸ KDM4E B2RXH2 1/20 0.72
▸ USP2 O75604 1/20 0.72
▸ ALDH1A1 P00352 1/20 0.72
▸ LMNA P02545 1/20 0.72
▸ HPGD P15428 1/20 0.72
▸ TSHR P16473 1/20 0.72
▸ BLM P54132 1/20 0.72
▸ SLC12A2 P55011 1/20 0.72
▸ HIF1A Q16665 1/20 0.72
▸ NPSR1 Q6W5P4 1/20 0.72
▸ HSD17B10 Q99714 1/20 0.72
▸ AQP1 P29972 1/20 0.60
▸ PTGS2 P35354 16/20 0.59
▸ CISD1 Q9NZ45 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 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
Hydrochloric Acid SCHEMBL11370731 0.99 CA2 (0.70) CA2KDM4EUSP2ALDH1A1LMNA
Formic Acid SCHEMBL11375396 0.94 CA2 (0.67) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL11377768 0.91 CA2 (0.69) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL574557 0.90 CA2 (0.74) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL21436524 0.90 CA2 (0.70) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL11377765 0.89 CA2 (0.69) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL21436676 0.89 KDM4E (0.69) CA2KDM4EUSP2ALDH1A1LMNA
Bromide SCHEMBL11374856 0.89 CA2 (0.69) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL21436435 0.88 CA2 (0.68) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL21437129 0.88 CA2 (0.68) CA2KDM4EUSP2ALDH1A1LMNA

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-4247550-A Compositions and methods for the treatment of hypertension or oedemas LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1981-01-27 — — US disclosed
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