SCHEMBL4786970

SCHEMBL4786970

OC(c1ccccc1)N(I)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AOC3 Q16853 5/20 0.39
MAPK1 P28482 1/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL11511432 0.74 LMNA (0.39) LMNAKDM4EL3MBTL1MAPK1SLC6A2
SCHEMBL31480056 0.72 LMNA (0.46) LMNAKDM4EL3MBTL1AOC3MAPK1
SCHEMBL21158705 0.70 ALDH1A1 (0.41) LMNAKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6522565 0.70 LMNA (0.44) LMNAKDM4EL3MBTL1AOC3MAPK1
SCHEMBL1674631 0.69 KDM4E (0.58) LMNAKDM4EAOC3SLC6A2SLC6A4
SCHEMBL8508318 0.65 SMN1; SMN2 (0.42) LMNAALDH1A1TSHRSMN1; SMN2ADRA2A
SCHEMBL2336389 0.64
SCHEMBL6045285 0.64
SCHEMBL26067052 0.64
SCHEMBL23337668 0.64 LMNA (0.50) LMNAKDM4EAOC3MAPK1SLC6A2

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
WO-2008132464-A2 MEK5 AND RELATED PROTEINS AS BIOMARKERS OF NEURODEGENERATIVE DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2008-11-06 WO disclosed