SCHEMBL27716705

SCHEMBL27716705

O=C(O)c1ccc(Oc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.87

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.87
PYGL P06737 15/20 0.79
PYGM P11217 3/20 0.79
SMN1; SMN2 Q16637 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
LMNA P02545 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL7126028 0.91 MAPT (0.83) MAPTPYGLPYGMSMN1; SMN2CYP1A2
SCHEMBL27716687 0.89 MAPT (0.67) MAPTPYGLPYGMSMN1; SMN2CYP1A2
SCHEMBL4323472 0.88 PYGL (1.00) MAPTPYGLPYGM
SCHEMBL7124027 0.88 MAPT (0.81) MAPTPYGLPYGMSMN1; SMN2CYP1A2
SCHEMBL7126675 0.86 PYGL (0.71) MAPTPYGLPYGMALDH1A1MEN1
SCHEMBL27716717 0.83 CACNA1H (0.60) MAPTPYGLPYGMSMN1; SMN2CYP1A2
SCHEMBL30249770 0.83 PYGL (0.73) MAPTPYGLPYGMSMN1; SMN2ALDH1A1
SCHEMBL7122317 0.83 MAPT (0.76) MAPTPYGLPYGMSMN1; SMN2CYP1A2
SCHEMBL7129453 0.83 MAPT (0.80) MAPTPYGLPYGMSMN1; SMN2CYP1A2
SCHEMBL7126045 0.83 PYGL (0.73) MAPTPYGLPYGMSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101094829-B novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO.,LTD. (JP) 2012-02-08 CN disclosed
CN-101094829-A Novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2007-12-26 CN disclosed