SCHEMBL6970927

SCHEMBL6970927

O=c1[nH]c2cc(F)c([N+](=O)[O-])cc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.46
GRIN2D O15399 3/20 0.41
GRIN3B O60391 3/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2A Q12879 3/20 0.41
GRIN2B Q13224 3/20 0.41
GRIN2C Q14957 3/20 0.41
GRIN3A Q8TCU5 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
BLM P54132 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 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
SCHEMBL10504041 0.94 KMO (0.46) KMOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1027569 0.82 NOS1 (0.49) KMOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6963040 0.81 KMO (0.64) KMOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25260021 0.81 KMO (0.46) KMOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2549381 0.79 KMO (0.59) KMOLMNACYP1A2TSHRBLM
SCHEMBL30770947 0.78 KMO (0.44) KMOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30483748 0.77 KMO (0.46) KMOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4812924 0.77 KMO (0.46) KMOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25289763 0.77 KMO (0.46) KMOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5539451 0.76 NOS1 (0.53) KMOLMNACYP1A2TSHRBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0855391-B1 NOVEL ISOQUINOLINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2003-10-15 EP disclosed
EP-1316550-A1 6-Acylamino-5-substituted-benzoxazol-2-one compounds and method for using them EASTMAN KODAK COMPANY (US) 2003-06-04 EP disclosed
US-6515176-B1 Disclosed is a 6-acylamino-5-substituted-benzoxazol-2-one compound having the structural formula I: Also disclosed is a method for forming a cyan dye-forming coupler from the above compound. The method and intermediate with a simplified EASTMAN KODAK COMPANY 2003-02-04 US disclosed
US-5959107-A Isoquinoline derivatives SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1999-09-28 US disclosed
EP-0855391-A1 NOVEL ISOQUINOLINE DERIVATIVES SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1998-07-29 EP disclosed
EP-0385664-B1 Antiinflammatory benzoxazolones PFIZER (US) 1994-01-12 EP disclosed
US-5149821-A Process and intermediates for optically active 3-formyltetrahydropyrans PFIZER INC (US) 1992-09-22 US disclosed
US-5086062-A Inhibitors of lipoxygenase and-or cyclooxygenase enzymes PFIZER INC. (US) 1992-02-04 US disclosed
EP-0385664-A2 Antiinflammatory benzoxazolones PFIZER INC. (US) 1990-09-05 EP disclosed