SCHEMBL20886912

SCHEMBL20886912

CC(=O)N(C)c1cccc2c1oc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.47
▸ GAA P10253 1/20 0.43
▸ TSPO P30536 1/20 0.42
▸ ELANE P08246 1/20 0.41
▸ MAOA P21397 3/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ AHR P35869 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL28245573 0.83 ALOX5 (0.46) ALOX5GAAMAOAMEN1CYP2C19
SCHEMBL23046767 0.80 ALOX5 (0.44) ALOX5GAAMAOAMEN1CYP2C19
SCHEMBL19929766 0.80 ALOX5 (0.43) ALOX5GAAMAOAMEN1CYP2C19
SCHEMBL14295747 0.80 ALOX5 (0.43) ALOX5GAAMAOAMEN1CYP2C19
SCHEMBL24865208 0.79 KCNH2 (0.50) ALOX5MAOAMEN1CYP2C19KMT2A
SCHEMBL26027447 0.77 ALOX5 (0.44) ALOX5GAAMAOAMEN1CYP2C19
SCHEMBL22857649 0.77 ALOX5 (0.41) ALOX5GAAMAOAMEN1CYP2C19
SCHEMBL14295748 0.76 ALOX5 (0.40) ALOX5GAAMAOAMEN1CYP2C19
SCHEMBL23310406 0.76 ALOX5 (0.50) ALOX5MAOAMEN1CYP2C19KMT2A
SCHEMBL6372657 0.76 ALOX5 (0.45) ALOX5MAOAMEN1CYP2C19KMT2A

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-2019071104-A1 COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF HYPERAMMONEMIA CHILDREN'S NATIONAL MEDICAL CENTER (US) 2019-04-11 — — WO disclosed
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