SCHEMBL6993258

SCHEMBL6993258

Nc1ccccc1-c1cnns1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
GAA P10253 6/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 4/20 0.47
HTT P42858 2/20 0.47
RUNX1 Q01196 2/20 0.47
CBFB Q13951 2/20 0.47
GFER P55789 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HSD17B10 Q99714 3/20 0.40
IDO1 P14902 4/20 0.39
SMN1; SMN2 Q16637 5/20 0.37
KDM4E B2RXH2 5/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL9135064 0.76 HPGD (0.67) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL2660255 0.76 ALDH1A1 (0.43) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL2659245 0.73 BCAT2 (0.49) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL1094712 0.73 ALDH1A1 (0.45) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL4753598 0.72 CNR2 (0.37) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL6989282 0.72 ALDH1A1 (0.43) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL2204601 0.70 ALDH1A1 (0.44) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL27288986 0.68 ALDH1A1 (0.46) ALDH1A1GAAMAPTHPGDL3MBTL1
SCHEMBL11953304 0.68 LIMK1 (0.54) ALDH1A1GAAMAPTL3MBTL1HSD17B10
SCHEMBL16600088 0.67 ALDH1A1 (0.57) ALDH1A1GAAMAPTL3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1353914-A2 THERAPEUTIC CHROMONE COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353915-A2 THERAPEUTIC CHROMAN COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353913-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055014-A2 THERAPEUTIC CHROMAN COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed