SCHEMBL11068433

SCHEMBL11068433

CCCCCCCC(=O)OCCc1c(-c2ccccc2)nc(N)n2ncnc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.43
▸ FAAH O00519 6/20 0.42
▸ DGKA P23743 1/20 0.40
▸ GAA P10253 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ DHFR P00374 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL11071024 0.87 FAAH (0.36) TDP1FAAHL3MBTL1DHFRCYP3A4
SCHEMBL11067372 0.85 TDP1 (0.41) TDP1FAAHDGKAGAAMEN1
SCHEMBL28805202 0.69 TDP1 (0.46) TDP1FAAHDGKAL3MBTL1MEN1
Biphenyl SCHEMBL28557971 0.69 DGKA (0.62) DGKAALDH1A1CYP3A4
SCHEMBL10814092 0.69 FAAH (0.52) TDP1FAAHDGKAGAAL3MBTL1
SCHEMBL5352197 0.68 DGKA (0.66) FAAHDGKA
SCHEMBL10766992 0.68 DGKA (0.66) TDP1DGKAMEN1KMT2A
SCHEMBL5357954 0.68 DGKA (0.66) FAAHDGKA
SCHEMBL8663024 0.68 DGKA (0.66) TDP1DGKAMEN1KMT2A
SCHEMBL873938 0.68 DGKA (0.66) TDP1DGKAMEN1KMT2A

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-4483987-A 8-Substituted 7-phenyl-1,2,4-triazolo[2,3-c]pyrimidines-5-amines and amides G. D. SEARLE & CO. (US) 1984-11-20 — — US claimed
EP-0129247-A1 8-Substituted 7-phenyl-1,2,4-triazolo [2,3-c] pyrimidines-5-amines and amides G.D. Searle & Co. (US) 1984-12-27 — — EP disclosed
US-4483987-A 8-Substituted 7-phenyl-1,2,4-triazolo[2,3-c]pyrimidines-5-amines and amides G. D. SEARLE & CO. (US) 1984-11-20 — — US disclosed
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