SCHEMBL7478904

SCHEMBL7478904

Cc1nc2cc(O)c([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
RAB9A P51151 3/20 0.43
APOBEC3G Q9HC16 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ESR2 Q92731 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 4/20 0.41
LMNA P02545 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
GRIK1 P39086 1/20 0.41

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
SCHEMBL7478895 0.94 GAA (0.51) GAAMAPTALDH1A1KDM4ERAB9A
SCHEMBL5008296 0.86 GAA (0.66) GAAMAPTALDH1A1KDM4ERAB9A
SCHEMBL7476702 0.82 LMNA (0.48) GAAMAPTALDH1A1KDM4ERAB9A
SCHEMBL13544185 0.81 MAPT (0.54) GAAMAPTALDH1A1KDM4ERAB9A
SCHEMBL2004172 0.81 GAA (0.51) GAAMAPTALDH1A1KDM4ERAB9A
SCHEMBL2266880 0.79 POLB (0.50) GAAMAPTALDH1A1KDM4ERAB9A
SCHEMBL7475993 0.78 GAA (0.49) GAAMAPTALDH1A1TDP1POLB
SCHEMBL30896324 0.77 GAA (0.51) GAAMAPTALDH1A1KDM4ERAB9A
SCHEMBL14819940 0.77 GAA (0.51) GAAMAPTALDH1A1KDM4ERAB9A
Bromide SCHEMBL11354067 0.77 POLB (0.49) GAAMAPTALDH1A1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1110305-C Naphthyl-substituted benzimidazole derivatives as anticoagulants BERLEX LAB (US) 2003-06-04 CN disclosed
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
CN-1209062-A Naphthyl-substituted benzimidazole derivatives as anticoagulants BERLEX LAB (US) 1999-02-24 CN 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