SCHEMBL6674172

SCHEMBL6674172

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.34
GRIA2 P42262 2/20 0.34
GRIA3 P42263 2/20 0.34
GRIA4 P48058 2/20 0.34
MAPT P10636 2/20 0.34
GRM6 O15303 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL626564 0.83 MAPT (0.51) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL159009 0.81 MAPT (0.53) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL30456072 0.80 MAPT (0.51) GRIA1GRIA2GRIA3GRIA4MAPT
Water SCHEMBL30261034 0.80 MAPT (0.51) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL29597249 0.65 MAPT (0.46) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL157744 0.64 CYP3A4 (0.45) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL30389963 0.62 CYP3A4 (0.43) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL17347340 0.57 TSHR (0.38) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL31598698 0.55 MAPT (0.54) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL1320586 0.53 KDM4E (0.36) GRIA1GRIA2GRIA3GRIA4MAPT

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
EP-1138332-B1 Treatment of poriomania AJINOMOTO KK (JP) 2004-06-09 EP claimed