SCHEMBL11231108

SCHEMBL11231108

CCSc1nnc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 5/20 0.71
▸ PTGS2 P35354 1/20 0.57
▸ TP53 P04637 5/20 0.54
▸ MAPT P10636 5/20 0.54
▸ NPC1 O15118 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MGAM O43451 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ SI P14410 2/20 0.48
▸ MGAM2 Q2M2H8 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ RORC P51449 1/20 0.47

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
SCHEMBL11244831 0.88 PTGES (0.80) PTGESPTGS2TP53MAPTALDH1A1
SCHEMBL11476250 0.86 MAPT (0.59) PTGESPTGS2TP53MAPTNPC1
SCHEMBL11240834 0.85 PTGES (0.90) PTGESPTGS2TP53MAPTNPC1
SCHEMBL11469057 0.84 PTGES (0.55) PTGESPTGS2TP53MAPTNPC1
SCHEMBL11477119 0.83 PTGES (1.00) PTGESPTGS2TP53MAPTNPC1
SCHEMBL11240864 0.82 NPSR1 (0.64) PTGESPTGS2TP53MAPTNPC1
SCHEMBL11476538 0.81 TP53 (0.62) PTGESPTGS2TP53MAPTNPC1
SCHEMBL21527261 0.80 NPSR1 (0.66) PTGESPTGS2MAPTNPC1ALDH1A1
SCHEMBL11240284 0.80 PTGES (0.57) PTGESPTGS2TP53MAPTNPC1
SCHEMBL11467233 0.79 PTGES (0.71) PTGESPTGS2TP53MAPTMGAM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-4318911-A 5,6-Diaryl-1,2,4-triazines as topical antithrombotic agents ELI LILLY AND COMPANY (US) 1982-03-09 — — US disclosed
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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