SCHEMBL30456072

SCHEMBL30456072

N#Cc1cc2c(cc1[N+](=O)[O-])=NC(=O)C(=O)N=2.[Na].[Na]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
GRIA1 P42261 2/20 0.51
GRIA2 P42262 2/20 0.51
GRIA3 P42263 2/20 0.51
GRIA4 P48058 2/20 0.51
CYP1A2 P05177 2/20 0.51
GRM6 O15303 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP2C9 P11712 2/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
APEX1 P27695 1/20 0.50
BLM P54132 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
VCAM1 P19320 5/20 0.46
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38

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
Water SCHEMBL30261034 1.00 MAPT (0.51) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL159009 0.98 MAPT (0.53) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL626564 0.97 MAPT (0.51) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL30389963 0.82 CYP3A4 (0.43) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL29597249 0.80 MAPT (0.46) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL6674172 0.80 GRIA1 (0.34) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL157744 0.80 CYP3A4 (0.45) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL1998053 0.78 CYP3A4 (0.43) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL27720245 0.73 HPRT1 (0.41) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL21292987 0.71 VCAM1 (0.47) MAPTGRIA1GRIA2GRIA3GRIA4

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
WO-2023114462-A1 MEDICAL COUNTER MEASURES INCLUDING DRY POWDER FORMULATIONS AND ASSOCIATED METHODS Belhaven BioPharma Inc. (US) 2023-06-22 WO disclosed