SCHEMBL4985307

SCHEMBL4985307

CCOC(=O)c1nc(C(C)C)oc1[AsH2]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 6/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
MAPT P10636 1/20 0.39
PDCD4 Q53EL6 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE4A P27815 1/20 0.37
FBP1 P09467 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
GAA P10253 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
SCHEMBL4960052 0.83 ALDH1A1 (0.45) TARBP2ALDH1A1CYP1A2MAPTKDM4E
SCHEMBL20378343 0.75 KDM4E (0.42) TARBP2ALDH1A1CYP1A2MAPTKDM4E
SCHEMBL4970342 0.75 TARBP2 (0.40) TARBP2ALDH1A1CYP1A2MAPTPDCD4
SCHEMBL28561959 0.74 KDM4E (0.41) TARBP2ALDH1A1CYP1A2MAPTKDM4E
SCHEMBL18018776 0.70 CTSK (0.45) TARBP2ALDH1A1CYP1A2MAPTPDCD4
SCHEMBL18018717 0.69 MMP2 (0.48) ALDH1A1CYP1A2MAPTKDM4EHPGD
SCHEMBL22213904 0.68 HTT (0.47) TARBP2ALDH1A1CYP1A2MAPTKDM4E
SCHEMBL6506484 0.68 NPSR1 (0.47) TARBP2ALDH1A1MAPTPDCD4KDM4E
SCHEMBL24351435 0.68 NPC1 (0.46) ALDH1A1CYP1A2GAA
SCHEMBL13400747 0.68 CYP1A2 (0.49) ALDH1A1CYP1A2MAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966176-A1 HETEROCYCLIC GABA-B MODULATORS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007073296-A1 HETEROCYCLIC GABA-B MODULATORS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed