SCHEMBL7006729

SCHEMBL7006729

Cn1ccn2c(cc3ccc(OCc4ccccc4)cc32)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
NPC1 O15118 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.47
HTR7 P34969 1/20 0.47
MAOB P27338 6/20 0.46
SRD5A2 P31213 1/20 0.46
ACHE P22303 1/20 0.46
MAOA P21397 4/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
MTNR1A P48039 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL7009955 0.90 NPC1 (0.56) ALOX5NPC1MEN1KMT2ARAB9A
SCHEMBL7004499 0.85 MCHR1 (0.47) ALOX5NPC1MEN1KMT2ARAB9A
SCHEMBL7009665 0.84 ALOX5 (0.47) ALOX5NPC1MEN1KMT2ARAB9A
SCHEMBL7006801 0.84 MAPK14 (0.54) ALOX5NPC1MEN1KMT2AHTR7
SCHEMBL7001976 0.83 MCHR1 (0.47) ALOX5NPC1MEN1KMT2ARAB9A
SCHEMBL7002364 0.82 NPC1 (0.47) NPC1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL7003213 0.79 NSD2 (0.50) ALOX5NPC1MEN1KMT2ARAB9A
SCHEMBL7005823 0.79 ALOX5 (0.41) ALOX5NPC1MEN1KMT2ARAB9A
SCHEMBL7003158 0.79 MAPK14 (0.48) ALOX5MAPK14
SCHEMBL7003133 0.79 CA2 (0.44) MEN1KMT2AHTR7CA2MTNR1A

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