SCHEMBL11243005

SCHEMBL11243005

CSc1nnc(-c2ccc(OC(C)C)cc2)c(-c2ccc(OC(C)C)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.58
▸ PTGES O14684 4/20 0.43
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MCL1 Q07820 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAPDH P04406 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ PTPN7 P35236 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ DUSP3 P51452 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
SCHEMBL11467226 0.88 NPSR1 (0.47) NPSR1PTGESMAPTLMNAALDH1A1
SCHEMBL11240864 0.82 NPSR1 (0.64) NPSR1PTGESMAPTLMNAALDH1A1
SCHEMBL11470501 0.79 MAPT (0.40) MAPTALDH1A1TP53MCL1KMT2A
SCHEMBL11479740 0.78 PTGES (0.73) PTGESMAPTLMNATP53
SCHEMBL11477773 0.78 NPSR1 (0.58) NPSR1PTGESMAPTLMNASMN1; SMN2
SCHEMBL11873100 0.78 MAP4K4 (0.40) MAPTTP53MCL1KMT2ANOTUM
SCHEMBL11476429 0.77 TP53 (0.39) NPSR1PTGESMAPTLMNAALDH1A1
SCHEMBL11719116 0.77 NPSR1 (0.57) NPSR1PTGESMAPTTP53MEN1
SCHEMBL10812615 0.76 NPSR1 (0.70) NPSR1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL11747087 0.76 NPSR1 (0.70) NPSR1PTGESMAPTLMNAALDH1A1

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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