SCHEMBL8286186

SCHEMBL8286186

Cc1cc2c(c([N+](=O)[O-])n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.41
GAA P10253 5/20 0.41
MAPT P10636 5/20 0.41
TDP1 Q9NUW8 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HTT P42858 6/20 0.40
PDE11A Q9HCR9 1/20 0.39
ALDH1A1 P00352 5/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
ABCC1 P33527 2/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
ABCB1 P08183 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
DCTPP1 Q9H773 1/20 0.36

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
SCHEMBL5872108 0.84 GAA (0.44) LMNAGAAMAPTTDP1SMN1; SMN2
SCHEMBL8287944 0.83 GAA (0.43) LMNAGAAMAPTTDP1SMN1; SMN2
SCHEMBL8286417 0.82 ABCG2 (0.46) LMNAGAAMAPTSMN1; SMN2HTT
SCHEMBL5871645 0.82 GAA (0.42) LMNAGAAMAPTTDP1SMN1; SMN2
SCHEMBL5871824 0.82 GAA (0.44) LMNAGAAMAPTTDP1SMN1; SMN2
SCHEMBL8287934 0.82 MAT2A (0.43) LMNAGAAMAPTTDP1SMN1; SMN2
SCHEMBL8286573 0.82 GAA (0.42) LMNAGAAMAPTTDP1SMN1; SMN2
SCHEMBL5872094 0.81 PDE11A (0.40) LMNAGAAMAPTSMN1; SMN2HTT
SCHEMBL5872043 0.81 GAA (0.41) LMNAGAAMAPTTDP1SMN1; SMN2
SCHEMBL8286146 0.80 PDE11A (0.39) LMNAGAAMAPTSMN1; SMN2HTT

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
WO-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed