SCHEMBL27675408

SCHEMBL27675408

O=CC(=O)CCc1nc(NCc2ccccc2)c2cc([N+](=O)[O-])sc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ATG4B Q9Y4P1 3/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ HIPK4 Q8NE63 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ ACHE P22303 3/20 0.39
▸ PDE5A O76074 5/20 0.38
▸ EGFR P00533 2/20 0.37
▸ APP P05067 2/20 0.36
▸ CASP3 P42574 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
SCHEMBL27675437 0.91 PDE4A (0.45) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL27655445 0.91 ATG4B (0.41) KMT2AATG4BHTTALDH1A1POLB
SCHEMBL27675500 0.85 ACHE (0.45) MEN1KMT2AMAPTALDH1A1ACHE
SCHEMBL27675416 0.84 ACHE (0.41) ACHEPDE5AEGFRAPP
SCHEMBL27655658 0.83 ICAM1 (0.53) MEN1KMT2AALDH1A1ACHEAPP
SCHEMBL27655538 0.82 ACHE (0.39) CDK2ACHEEGFRAPP
SCHEMBL27655451 0.81 PDE4A (0.45) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL27655549 0.80 PDE4A (0.47) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL27655447 0.79 PDE4A (0.45) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5130872 0.78 PDE5A (0.52) MEN1KMT2AMAPTHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1875023-A Use of thienopyrimidines MERCK PATENT GMBH (DE) 2006-12-06 — — CN disclosed
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