SCHEMBL8740426

SCHEMBL8740426

CC(C)(C)OC(=O)N(C(C=O)CCCNC(=N)N)[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL4961940 1.00 MEN1 (0.35) MEN1GAAKMT2AMAOAMAOB
SCHEMBL12989005 0.83 MEN1 (0.41) MEN1GAAKMT2AMAOAMAOB
SCHEMBL8529057 0.83 MEN1 (0.41) MEN1GAAKMT2AMAOAMAOB
SCHEMBL8750552 0.83 MEN1 (0.36) MEN1GAAKMT2AMAOAMAOB
SCHEMBL7280716 0.83 MEN1 (0.41) MEN1GAAKMT2AMAOAMAOB
SCHEMBL2301202 0.83 MEN1 (0.41) MEN1GAAKMT2AMAOAMAOB
SCHEMBL7357498 0.83 ACHE (0.32)
SCHEMBL7079195 0.82 MEN1 (0.35) MEN1GAAKMT2AMAOAMAOB
SCHEMBL27912989 0.79 MEN1 (0.35) MEN1GAAKMT2AMAOAMAOB
SCHEMBL11019775 0.74 MAPT (0.39) MEN1GAAKMT2A

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
EP-0627925-A4 TRYPSIN INHIBITORS. CORVAS INT INC (US) 1997-07-30 EP disclosed
EP-0627925-A1 TRYPSIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1994-12-14 EP disclosed
WO-1993014779-A1 TRYPSIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1993-08-05 WO disclosed