SCHEMBL11749040

SCHEMBL11749040

CCN(CCO)c1nnc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 4/20 0.46
▸ PRUNE1 Q86TP1 1/20 0.43
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TP53 P04637 3/20 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
SCHEMBL11327121 0.84 PTGES (0.44) PTGESPRUNE1MAPTKDM4EALDH1A1
SCHEMBL11747861 0.83 SLC29A1 (0.37) MAPTHPGDMEN1KMT2A
SCHEMBL11747999 0.80 PTGES (0.43) PTGESMAPTKDM4EALDH1A1LMNA
SCHEMBL11741002 0.80 SLC29A1 (0.35) HPGDMEN1KMT2A
SCHEMBL11749370 0.78 SCN9A (0.41) PTGESMAPTKDM4EALDH1A1HPGD
SCHEMBL11749033 0.76 PTGES (0.43) PTGESMAPTKDM4EALDH1A1LMNA
SCHEMBL11742743 0.75 ALDH1A1 (0.49) PTGESMAPTKDM4EALDH1A1LMNA
SCHEMBL11742591 0.74 PTGES (0.42) PTGESMAPTALDH1A1LMNAPTGS2
SCHEMBL11744427 0.74 PTGES (0.42) PTGESMAPTKDM4EALDH1A1LMNA
SCHEMBL11747090 0.74 NPC1 (0.44) PTGESMAPTKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3979516-A Anti-inflammatory 3-amino-5,6-diaryl-1,2,4-triazines ELI LILLY AND COMPANY (US) 1976-09-07 — — US claimed
US-3948894-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1976-04-06 — — US claimed
US-4008232-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1977-02-15 — — US disclosed
US-3979516-A Anti-inflammatory 3-amino-5,6-diaryl-1,2,4-triazines ELI LILLY AND COMPANY (US) 1976-09-07 — — US disclosed
US-3948894-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1976-04-06 — — US disclosed
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