SCHEMBL11749033

SCHEMBL11749033

CCN(c1nnc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1)C(C)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 4/20 0.43
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ TP53 P04637 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ GPR84 Q9NQS5 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL11747976 0.83 PTGES (0.43) PTGESLMNAKDM4EALDH1A1NPSR1
SCHEMBL11744427 0.82 PTGES (0.42) PTGESLMNAKDM4EALDH1A1NPSR1
SCHEMBL11749370 0.78 SCN9A (0.41) PTGESKDM4EALDH1A1NPSR1PTGS2
SCHEMBL11744357 0.78 CACNA2D1 (0.40) PTGESLMNAPTGS2TP53MAPT
SCHEMBL11745628 0.77 ALDH1A1 (0.45) PTGESLMNAKDM4EALDH1A1NPSR1
SCHEMBL11742591 0.77 PTGES (0.42) PTGESLMNAALDH1A1PTGS2TP53
SCHEMBL11749040 0.76 PTGES (0.46) PTGESLMNAKDM4EALDH1A1NPSR1
SCHEMBL11749644 0.76 ALDH1A1 (0.44) PTGESLMNAKDM4EALDH1A1NPSR1
SCHEMBL11742743 0.75 ALDH1A1 (0.49) PTGESLMNAKDM4EALDH1A1NPSR1
SCHEMBL11747090 0.74 NPC1 (0.44) PTGESLMNAKDM4EALDH1A1NPSR1

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-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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