SCHEMBL7475993

SCHEMBL7475993

COc1cc2nc(C)[nH]c2cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
GFER P55789 1/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
AMY1A P0DUB6 2/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
NQO2 P16083 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL7475985 0.94 GAA (0.49) GAAGFERPDGFRBPDGFRAAMY1A
SCHEMBL5008296 0.84 GAA (0.66) GAAPOLBMAPTALDH1A1TDP1
SCHEMBL7473230 0.83 KDM4E (0.46) GAAGFERPDGFRBPDGFRAAMY1A
SCHEMBL2272761 0.80 AMY1A (0.50) AMY1APOLBMAPTALDH1A1TDP1
SCHEMBL13544185 0.78 MAPT (0.54) GAAPOLBMAPTALDH1A1TDP1
SCHEMBL7478904 0.78 GAA (0.51) GAAPOLBMAPTALDH1A1TDP1
SCHEMBL2004172 0.78 GAA (0.51) GAAPOLBMAPTALDH1A1TDP1
SCHEMBL7473228 0.77 KDM4E (0.46) GAAGFERPDGFRBPDGFRAAMY1A
SCHEMBL17702668 0.77 AMY1A (0.51) AMY1APOLBMAPTALDH1A1TDP1
SCHEMBL25244854 0.77 PDGFRB (0.45) GFERPDGFRBPDGFRAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865281-B1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 2002-04-03 EP disclosed
EP-0865281-A4 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 1999-07-28 EP disclosed
US-5849759-A Naphthyl-substituted benzimidazole derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-12-15 US disclosed
EP-0865281-A1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1998-09-23 EP disclosed
WO-1997021437-A1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LABORATORIES, INC. (DE) 1997-06-19 WO disclosed