SCHEMBL1845525

SCHEMBL1845525

COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCc4ccccc4)c3)CC2)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.78
MAPT P10636 10/20 0.78
LMNA P02545 6/20 0.78
SMN1; SMN2 Q16637 4/20 0.78
NPC1 O15118 3/20 0.78
MAPK1 P28482 3/20 0.78
RAB9A P51151 2/20 0.78
HTT P42858 3/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
HTR6 P50406 4/20 0.64
DCTPP1 Q9H773 4/20 0.61
NPSR1 Q6W5P4 2/20 0.57
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 1/20 0.53

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
SCHEMBL1845563 0.92 MAPT (0.68) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL1844422 0.90 ALDH1A1 (0.80) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL1844113 0.88 HTR6 (0.73) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL1841808 0.87 ALDH1A1 (0.76) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL2181933 0.87 MAPT (0.86) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL1844975 0.86 DCTPP1 (0.78) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL2762508 0.86 DCTPP1 (0.72) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL1844129 0.85 HTR6 (0.67) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL1844684 0.85 MAPT (0.68) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL1844857 0.85 HTR6 (0.66) ALDH1A1MAPTLMNASMN1; SMN2NPC1

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-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