SCHEMBL1844684

SCHEMBL1844684

CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCc4ccccc4)c3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.68
ALDH1A1 P00352 8/20 0.68
MAPK1 P28482 4/20 0.68
NPC1 O15118 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
LMNA P02545 3/20 0.68
DCTPP1 Q9H773 5/20 0.66
HTR6 P50406 4/20 0.64
RAB9A P51151 2/20 0.64
NPSR1 Q6W5P4 2/20 0.59
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
SIRT6 Q8N6T7 1/20 0.52

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
SCHEMBL1842540 0.94 MAPT (0.66) MAPTALDH1A1MAPK1NPC1SMN1; SMN2
SCHEMBL1843928 0.92 DCTPP1 (0.68) MAPTALDH1A1MAPK1NPC1SMN1; SMN2
SCHEMBL1844422 0.92 ALDH1A1 (0.80) MAPTALDH1A1MAPK1NPC1SMN1; SMN2
SCHEMBL1844975 0.90 DCTPP1 (0.78) MAPTALDH1A1MAPK1NPC1SMN1; SMN2
SCHEMBL2762508 0.90 DCTPP1 (0.72) MAPTALDH1A1MAPK1NPC1SMN1; SMN2
SCHEMBL1844113 0.90 HTR6 (0.73) MAPTALDH1A1MAPK1NPC1SMN1; SMN2
SCHEMBL1842537 0.89 ALDH1A1 (0.67) MAPTALDH1A1MAPK1NPC1SMN1; SMN2
SCHEMBL1841808 0.89 ALDH1A1 (0.76) MAPTALDH1A1MAPK1NPC1SMN1; SMN2
SCHEMBL1844129 0.87 HTR6 (0.67) MAPTALDH1A1MAPK1NPC1SMN1; SMN2
SCHEMBL1844857 0.86 HTR6 (0.66) MAPTALDH1A1MAPK1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320897-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE Treventis Corporation (US) 2011-05-18 EP claimed
WO-2010025375-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORPORATION (US) 2010-03-04 WO claimed
EP-2320897-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE Treventis Corporation (US) 2011-05-18 EP disclosed
WO-2010025375-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORPORATION (US) 2010-03-04 WO disclosed