SCHEMBL11476429

SCHEMBL11476429

CCC1CCC1Sc1nnc(-c2ccc(OC(C)C)cc2)c(-c2ccc(OC(C)C)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.39
▸ LMNA P02545 3/20 0.39
▸ PTGES O14684 3/20 0.39
▸ MAPT P10636 5/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33

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
SCHEMBL11243005 0.77 NPSR1 (0.58) TP53LMNAPTGESMAPTNPSR1
SCHEMBL11470519 0.74 LMNA (0.41) TP53LMNAPTGESMAPTNPSR1
SCHEMBL11467226 0.73 NPSR1 (0.47) LMNAPTGESMAPTNPSR1ALDH1A1
SCHEMBL11478727 0.72 LMNA (0.48) TP53LMNAPTGESMAPTNPSR1
SCHEMBL11479740 0.71 PTGES (0.73) TP53LMNAPTGESMAPTPTGS2
SCHEMBL11483110 0.69 TP53 (0.47) TP53LMNAPTGESMAPTNPSR1
SCHEMBL11468991 0.69 WDR5 (0.37) TP53LMNAMAPTNPSR1ALDH1A1
SCHEMBL11477775 0.68 WDR5 (0.36) TP53LMNAMAPTNPSR1ALDH1A1
SCHEMBL11712304 0.67 PTGES (0.43) TP53LMNAPTGESMAPTALDH1A1
SCHEMBL11467215 0.67 SCN9A (0.40) TP53LMNAPTGESMAPTNPSR1

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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