SCHEMBL4829795

SCHEMBL4829795

Cc1onc(-c2ccccc2)c1-c1cn2cc(N)ccc2n1.O=C(O)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.43
MAPK8 P45983 1/20 0.41
PTGS2 P35354 4/20 0.39
PTGS1 P23219 2/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 3/20 0.39
BRD4 O60885 2/20 0.38
MT-CO2 P00403 3/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL4493095 0.87 PTGS2 (0.51) MAPK14PTGS2PTGS1ALDH1A1NPC1
SCHEMBL4790583 0.83 ALDH1A1 (0.44) MAPK14MAPK8PTGS2ALDH1A1NPC1
SCHEMBL4492709 0.79 HPGDS (0.58) MAPK14MAPK8HPGDS
SCHEMBL4509398 0.79 ALDH1A1 (0.50) MAPK14MAPK8PTGS2PTGS1ALDH1A1
SCHEMBL4501838 0.77 NPC1 (0.61) MAPK14PTGS2PTGS1ALDH1A1NPC1
SCHEMBL4490900 0.77 HPGDS (0.58) MAPK14MAPK8HPGDS
SCHEMBL4493863 0.77 HPGDS (0.62) MAPK14MAPK8HPGDS
SCHEMBL4503802 0.76 ALDH1A1 (0.48) MAPK14MAPK8PTGS2PTGS1ALDH1A1
SCHEMBL4507738 0.75 GABRA5 (0.54) HPGDS
SCHEMBL4500011 0.75 SMN1; SMN2 (0.54) MAPK14PTGS2ALDH1A1NPC1RAB9A

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-1979350-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1,2-A]PYRIDINE USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE VIA GABA RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP claimed
WO-2007082806-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1,2-A]PYRIDINE USEFUL FOR THE TREATMENT OF ALZHEIMER’S DISEASE VIA GABA RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO claimed
EP-1979350-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1,2-A]PYRIDINE USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE VIA GABA RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
WO-2007082806-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1,2-A]PYRIDINE USEFUL FOR THE TREATMENT OF ALZHEIMER’S DISEASE VIA GABA RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed