SCHEMBL7938437

SCHEMBL7938437

COc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.75
MAPT P10636 7/20 0.75
KMT2A Q03164 3/20 0.75
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 2/20 0.57
DCTPP1 Q9H773 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 3/20 0.54
NPC1 O15118 2/20 0.54
MAPK1 P28482 2/20 0.54
RAB9A P51151 1/20 0.54
CYP1A2 P05177 1/20 0.54
GPR174 Q9BXC1 1/20 0.53
PKM P14618 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
SCHEMBL12684775 0.88 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL12684769 0.86 ALDH1A1 (0.58) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL12684776 0.86 ALDH1A1 (0.58) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL7940000 0.85 ALDH1A1 (0.57) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL15854533 0.85 ALDH1A1 (0.57) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL15854531 0.85 ALDH1A1 (0.64) ALDH1A1MAPTKMT2AMEN1DCTPP1
SCHEMBL375759 0.84 ALDH1A1 (0.71) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL12684773 0.83 ALDH1A1 (0.65) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL1842729 0.82 ALDH1A1 (0.64) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL7937794 0.81 ALDH1A1 (0.59) ALDH1A1MAPTKMT2AKDM4EMEN1

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-B1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORP (US) 2014-01-15 EP disclosed
WO-2010025375-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORPORATION (US) 2010-03-04 WO disclosed