SCHEMBL11479740

SCHEMBL11479740

CCCCCSc1nnc(-c2ccc(OC(C)C)cc2)c(-c2ccc(OC(C)C)cc2)n1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 5/20 0.73
▸ MAPT P10636 3/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 4/20 0.38

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
SCHEMBL11477119 0.85 PTGES (1.00) PTGESMAPTPTGS2TP53
SCHEMBL11485827 0.84 PTGES (0.79) PTGESMAPTPTGS2LMNATP53
SCHEMBL11240834 0.82 PTGES (0.90) PTGESMAPTPTGS2LMNATP53
SCHEMBL11243005 0.78 NPSR1 (0.58) PTGESMAPTLMNATP53
SCHEMBL11475303 0.78 PTGES (0.67) PTGESMAPTLMNATP53
SCHEMBL11467766 0.78 TP53 (0.59) PTGESMAPTPTGS2LMNATP53
SCHEMBL11482987 0.77 GPR84 (0.62) PTGESMAPTTP53
SCHEMBL11467226 0.77 NPSR1 (0.47) PTGESMAPTLMNA
SCHEMBL11244831 0.76 PTGES (0.80) PTGESMAPTPTGS2LMNATP53
SCHEMBL31582268 0.76 PTGES (0.63) PTGESMAPTLMNA

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-4190725-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1980-02-26 — — US disclosed
US-4021553-A 5,6-Diaryl-1,2,4-triazines as topically-active anti-inflammatory agents ELI LILLY AND COMPANY (US) 1977-05-03 — — US disclosed
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