SCHEMBL27508409

SCHEMBL27508409

NCc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
HTT P42858 2/20 0.64
NCOA1 Q15788 1/20 0.64
NCOA3 Q9Y6Q9 1/20 0.64
ALDH1A1 P00352 4/20 0.62
CTSD P07339 1/20 0.61
LMNA P02545 3/20 0.61
MAPT P10636 2/20 0.61
SLC12A2 P55011 1/20 0.61
SLC12A5 Q9H2X9 1/20 0.61
RAB9A P51151 2/20 0.59
GLA P06280 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58

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
SCHEMBL27489150 0.90 KLKB1 (0.63) GAASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL6814805 0.84 GAA (0.69) GAASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL995085 0.84 GAA (0.77) GAASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL4955903 0.83 GAA (0.67) GAASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL4955884 0.83 GAA (0.67) GAASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL4958300 0.82 GAA (0.71) GAASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL94829 0.82 GAA (0.71) GAASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL27657640 0.82 GAA (0.71) GAASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL4958310 0.82 GAA (0.71) GAASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL1010241 0.81 GAA (0.69) GAASMN1; SMN2HTTNCOA1NCOA3

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-1152014-C N-aryl (thio) anthranilic acid amide derivatives, their prepn. and their use as VEGF receptor tyrosine kinase inhibitors ��˹��ŵ�� 2004-06-02 CN disclosed
CN-1331680-A N-aryl (thio) anthranilic acid amide derivatives, their prepn. and their use as VEGF receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2002-01-16 CN disclosed