SCHEMBL7006801

SCHEMBL7006801

O=c1c2cc3ccc(OCc4ccccc4)cc3n2ccn1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.54
ALOX5 P09917 1/20 0.47
MAOB P27338 6/20 0.44
MAOA P21397 5/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
MTNR1A P48039 1/20 0.44
KMT2A Q03164 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
HTR7 P34969 1/20 0.43
ACHE P22303 1/20 0.42
SNRNP200 O75643 1/20 0.42

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
SCHEMBL7003158 0.94 MAPK14 (0.48) MAPK14ALOX5
SCHEMBL7006817 0.90 SNRNP200 (0.45) MAPK14ALOX5SNRNP200GRM2
SCHEMBL7004499 0.88 MCHR1 (0.47) MAPK14ALOX5MAOBMAOAMEN1
SCHEMBL7006120 0.88 CYP3A4 (0.43) MAPK14ALOX5MAOBMAOAMEN1
SCHEMBL7005838 0.87 TDP1 (0.42) MAPK14ALOX5MAOBMAOAMEN1
SCHEMBL7001976 0.85 MCHR1 (0.47) MAPK14ALOX5MAOBMEN1NPC1
SCHEMBL7006729 0.84 ALOX5 (0.48) MAPK14ALOX5MAOBMAOAMEN1
SCHEMBL7009665 0.83 ALOX5 (0.47) ALOX5MAOBMAOAMEN1NPC1
SCHEMBL7005488 0.81 HPGD (0.47) MAPK14MEN1KMT2A
SCHEMBL7002364 0.79 NPC1 (0.47) MEN1NPC1KMT2AL3MBTL1

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
EP-1200439-B1 1,2-DIHYDRO-1-OXO-PARAZINO(1,2-A) INDOLE DERIVATIVES NOVUSPHARMA SPA (IT) 2003-06-25 EP disclosed