SCHEMBL1846178

SCHEMBL1846178

O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.64
ALDH1A1 P00352 11/20 0.64
NPC1 O15118 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
CYP2C9 P11712 3/20 0.64
CYP2C19 P33261 3/20 0.64
RAB9A P51151 2/20 0.64
CYP3A4 P08684 2/20 0.64
HTT P42858 1/20 0.64
HTR6 P50406 2/20 0.62
LMNA P02545 6/20 0.56
MAPK1 P28482 4/20 0.56
DCTPP1 Q9H773 4/20 0.56
NPSR1 Q6W5P4 3/20 0.53
CYP1A2 P05177 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL1844319 0.91 MAPT (0.67) MAPTALDH1A1NPC1SMN1; SMN2CYP2C9
SCHEMBL1844245 0.90 DCTPP1 (0.69) MAPTALDH1A1NPC1SMN1; SMN2CYP2C9
SCHEMBL1844113 0.85 HTR6 (0.73) MAPTALDH1A1NPC1SMN1; SMN2CYP2C9
SCHEMBL1841845 0.84 HTR6 (0.65) MAPTALDH1A1NPC1SMN1; SMN2CYP2C9
SCHEMBL1844129 0.84 HTR6 (0.67) MAPTALDH1A1NPC1SMN1; SMN2CYP2C9
SCHEMBL1843982 0.84 HTR6 (0.67) MAPTALDH1A1NPC1SMN1; SMN2CYP2C9
SCHEMBL1845644 0.83 HTR6 (0.65) MAPTALDH1A1NPC1SMN1; SMN2CYP2C9
SCHEMBL1843887 0.83 HTR6 (0.65) MAPTALDH1A1NPC1SMN1; SMN2CYP2C9
SCHEMBL12259171 0.81 DCTPP1 (0.78) MAPTALDH1A1NPC1SMN1; SMN2CYP2C9
SCHEMBL1846175 0.81 MAPT (0.69) MAPTALDH1A1NPC1SMN1; 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 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