SCHEMBL3726404

SCHEMBL3726404

O=Cc1c(-c2ccccc2)[nH]c2c([N+](=O)[O-])cc(Cl)cc12.O=[N+]([O-])c1cc(Cl)cc2c(CN3CCOCC3)c(-c3ccccc3)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 2/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 5/20 0.40
ERN1 O75460 1/20 0.37
FBP1 P09467 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 1/20 0.37
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.36
KCNJ1 P48048 1/20 0.36
CASP1 P29466 1/20 0.36
GRIN2B Q13224 1/20 0.36
MEN1 O00255 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
SCHEMBL3011293 0.94 MAPT (0.53) MAPTKDM4EHSD17B10GAAALOX15
SCHEMBL3005567 0.84 CHUK (0.45) MAPTFBP1POLBL3MBTL1MEN1
SCHEMBL3008812 0.77 KMT2A (0.41) MAPTKDM4EHSD17B10GAAALOX15
SCHEMBL3000240 0.74 ALDH1A1 (0.42) MAPTKDM4EHSD17B10GAAALOX15
SCHEMBL3011607 0.73 MAPT (0.49) MAPTKDM4EHSD17B10GAAALOX15
SCHEMBL29185296 0.69 FBP1 (0.53) MAPTALDH1A1FBP1L3MBTL1
SCHEMBL30182889 0.68 FBP1 (0.36) ALDH1A1FBP1SMN1; SMN2POLBLMNA
SCHEMBL3005170 0.66 MAPT (0.45) MAPTKDM4EHSD17B10ALDH1A1FBP1
SCHEMBL27814575 0.65 ALDH1A1 (0.64) MAPTGAAALDH1A1HTTCYP2C19
SCHEMBL3006119 0.64 MAPT (0.41) MAPTKDM4EHSD17B10GAAALOX15

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
EP-2178870-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025478-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO disclosed