SCHEMBL1923076

SCHEMBL1923076

O=C(O)CN1C(=O)[C@@H]([AsH2])COc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.55
ACE P12821 5/20 0.55
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
PDPK1 O15530 2/20 0.41

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
SCHEMBL1923079 1.00 MME (0.55) MMEACEALDH1A1L3MBTL1NPC1
SCHEMBL12893378 0.84 MME (0.55) MMEACEALDH1A1L3MBTL1NPC1
SCHEMBL200387 0.84 MME (0.55) MMEACEALDH1A1L3MBTL1NPC1
SCHEMBL2687108 0.84 MME (0.55) MMEACEALDH1A1L3MBTL1NPC1
SCHEMBL200386 0.84 MME (0.55) MMEACEALDH1A1L3MBTL1NPC1
SCHEMBL30808661 0.76 KMT2A (0.68) ALDH1A1LMNATP53MEN1KMT2A
SCHEMBL4970176 0.76 KMT2A (0.68) ALDH1A1LMNATP53MEN1KMT2A
SCHEMBL10710600 0.74 ACE (0.66) MMEACE
SCHEMBL7876214 0.74 ACE (0.61) MMEACE
SCHEMBL7876213 0.74 ACE (0.61) MMEACE

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-2328925-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION Fibrex Medical Research & Development GmbH (AT) 2011-06-08 EP claimed
WO-2010034041-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-01 WO claimed