SCHEMBL11067372

SCHEMBL11067372

CCCCCCCC(=O)OCCc1c(-c2ccccc2)nc(NC(C)=O)n2ncnc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.41
▸ FAAH O00519 6/20 0.40
▸ DGKA P23743 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ SOAT1 P35610 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TOP2A P11388 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL11068433 0.85 TDP1 (0.43) TDP1FAAHDGKAGAAMEN1
SCHEMBL11063254 0.78 PKM (0.38) TDP1PKMMAPTMEN1CYP1A2
SCHEMBL11071117 0.77 P2RX7 (0.43) TDP1PKMMAPTMEN1CYP2C19
SCHEMBL11071024 0.73 FAAH (0.36) TDP1FAAHEPHX2MAPTCYP2C19
SCHEMBL28805202 0.67 TDP1 (0.46) TDP1FAAHDGKATOP2AMEN1
Biphenyl SCHEMBL28557971 0.67 DGKA (0.62) DGKAEPHX2
SCHEMBL10814092 0.66 FAAH (0.52) TDP1FAAHDGKAGAAMEN1
SCHEMBL5352197 0.66 DGKA (0.66) FAAHDGKA
SCHEMBL5355662 0.66 DGKA (0.66) FAAHDGKA
SCHEMBL5350282 0.66 DGKA (0.66) FAAHDGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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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