SCHEMBL9254586

SCHEMBL9254586

[NH]c1n[c]c2ccccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.32
HPGD P15428 4/20 0.32
ACHE P22303 4/20 0.32
KDM4E B2RXH2 4/20 0.32
GLA P06280 3/20 0.32
HSD17B10 Q99714 3/20 0.32
MAOA P21397 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NQO2 P16083 2/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL4741666 0.76 MAOA (0.43) MAPTALDH1A1HPGDACHEKDM4E
SCHEMBL5251836 0.74 DCPS (0.47) MAPTALDH1A1HPGDACHEKDM4E
SCHEMBL8515886 0.74 MAPT (0.36) MAPTALDH1A1HPGDACHEKDM4E
SCHEMBL857662 0.74 LMNA (0.39) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL23069184 0.71 NUDT1 (0.49) MAPTALDH1A1HPGDKDM4EGLA
SCHEMBL856172 0.71 ABCG2 (0.43) MAPTTDP1SMN1; SMN2RAB9ALMNA
SCHEMBL857238 0.71 NUDT1 (0.49) ACHEKDM4EGLAHSD17B10TDP1
SCHEMBL5271168 0.69 NPSR1 (0.35) MAPTALDH1A1KDM4ETDP1CASP1
SCHEMBL7976287 0.69 POLB (0.42) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL857320 0.69 KDM4E (0.37) MAPTALDH1A1HPGDKDM4ESMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US claimed
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US claimed
EP-0624582-A1 Substituted benzodioxine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-11-17 EP claimed
US-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US disclosed
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed