SCHEMBL5097965

SCHEMBL5097965

CCOc1ccccc1Oc1c(N)nc(-c2ncccn2)nc1Cl

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DHPS P49366 18/20 0.56
▸ ALDH1A1 P00352 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.39

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
SCHEMBL4064097 0.87 DHPS (0.74) DHPS
SCHEMBL5097958 0.82 KDM4E (0.42) DHPSALDH1A1
SCHEMBL618135 0.76 DHPS (0.58) DHPS
SCHEMBL29770374 0.76 DHPS (0.58) DHPS
SCHEMBL13430565 0.74 DHPS (0.43) DHPS
SCHEMBL12209056 0.74 SMN1; SMN2 (0.42) DHPSALDH1A1
SCHEMBL6490043 0.73 KDM4E (0.39) DHPSALDH1A1
SCHEMBL7209693 0.73 DHPS (0.58) DHPS
SCHEMBL3227293 0.73 DHPS (0.51) DHPS
SCHEMBL7795451 0.72 DHPS (0.53) DHPS

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-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 — — US disclosed
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