SCHEMBL8798469

SCHEMBL8798469

O=C1NC(=O)C(=Cc2ccc(OCCN3COc4ccc([N+](=O)[O-])cc4C3=O)cc2)S1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.49
GAA P10253 3/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MGAM O43451 2/20 0.47
SI P14410 2/20 0.47
MGAM2 Q2M2H8 2/20 0.47
IGF1R P08069 1/20 0.47
PPARG P37231 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
GSK3B P49841 1/20 0.47
PIM1 P11309 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45

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
SCHEMBL8798466 1.00 HPGD (0.49) HPGDGAAALDH1A1LMNAMAPT
SCHEMBL8798476 0.92 GAA (0.41) HPGDGAAALDH1A1LMNAMAPT
SCHEMBL8797673 0.86 HPGD (0.52) HPGDGAAMGAMSIMGAM2
SCHEMBL8797670 0.86 HPGD (0.52) HPGDGAAMGAMSIMGAM2
SCHEMBL8797917 0.86 HPGD (0.52) HPGDGAAMGAMSIMGAM2
SCHEMBL8797922 0.86 HPGD (0.52) HPGDGAAMGAMSIMGAM2
SCHEMBL8796650 0.85 MAPT (0.42) ALDH1A1LMNAMAPTHRH3
SCHEMBL7454718 0.84 MGAM (0.58) HPGDGAAMGAMSIMGAM2
SCHEMBL8796772 0.84 MGAM (0.58) HPGDGAAMGAMSIMGAM2
SCHEMBL8797738 0.80 HPGD (0.52) HPGDGAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787727-A1 Benzoazine derivative or salt thereof and pharmaceutical composition comprising the same SS Pharmaceutical Co., Ltd. (JP) 1997-08-06 EP disclosed