SCHEMBL7674900

SCHEMBL7674900

CC(NC(=O)C(C)c1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MGAM O43451 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SRC P12931 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MET P08581 1/20 0.44
▸ SMO Q99835 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44

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
SCHEMBL7563351 0.86 MMP9 (0.56) MEN1KMT2AMGAMGAASI
SCHEMBL7675824 0.82 MMP9 (0.58) MEN1KMT2AL3MBTL1MAPTSMN1; SMN2
SCHEMBL7671952 0.81 MMP9 (0.47) MEN1KMT2AGAAMMP9MMP8
SCHEMBL27946627 0.81 SRC (0.53) MEN1KMT2AMGAMGAASI
SCHEMBL7677326 0.80 KMT2A (0.54) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL7674910 0.78 MAPT (0.63) MEN1KMT2AGAAL3MBTL1MAPT
SCHEMBL7676891 0.77 MMP9 (0.43) MEN1KMT2AMGAMGAASI
SCHEMBL13763316 0.77 GAA (0.51) MEN1KMT2AMGAMGAASI
SCHEMBL21399724 0.77 GUSB (0.54) MEN1KMT2AMGAMGAASI
SCHEMBL31108453 0.77 GUSB (0.54) MEN1KMT2AMGAMGAASI

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
US-6472418-B1 Non-peptide NK1 receptors antagonists WARNER-LAMBERT COMPANY 2002-10-29 — — US disclosed
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