SCHEMBL11230698

SCHEMBL11230698

COc1ccc(-c2nnc(SC(C)C)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 4/20 0.56
▸ TP53 P04637 6/20 0.50
▸ MAPT P10636 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PTGS2 P35354 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ RORC P51449 1/20 0.43

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
SCHEMBL11466969 0.84 MAPT (0.54) PTGESTP53MAPTLMNAMEN1
SCHEMBL11240864 0.82 NPSR1 (0.64) PTGESTP53MAPTLMNAALDH1A1
SCHEMBL11485886 0.81 PTGES (0.47) PTGESTP53MAPTLMNAALDH1A1
SCHEMBL31582542 0.80 MAPT (0.58) PTGESTP53MAPTLMNAALDH1A1
SCHEMBL11475686 0.78 NPSR1 (0.42) PTGESTP53MAPTALDH1A1MEN1
SCHEMBL11231108 0.78 PTGES (0.71) PTGESTP53MAPTLMNAALDH1A1
SCHEMBL11719116 0.77 NPSR1 (0.57) PTGESTP53MAPTMEN1KMT2A
SCHEMBL11244831 0.76 PTGES (0.80) PTGESTP53MAPTLMNAALDH1A1
SCHEMBL11247823 0.76 ALDH1A1 (0.49) PTGESTP53MAPTLMNAALDH1A1
SCHEMBL11479414 0.75 HPGD (0.44) PTGESTP53MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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