SCHEMBL4970342

SCHEMBL4970342

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 6/20 0.40
PDCD4 Q53EL6 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35

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
SCHEMBL4958502 0.82 ALDH1A1 (0.44) TARBP2PDCD4ALDH1A1CYP1A2GAA
SCHEMBL4985307 0.75 TARBP2 (0.41) TARBP2PDCD4ALDH1A1CYP1A2GAA
SCHEMBL29110021 0.69 KMT2A (0.40) ALDH1A1CYP1A2GAAKDM4EHPGD
SCHEMBL4961136 0.67 ALDH1A1 (0.47) TARBP2PDCD4ALDH1A1CYP1A2GAA
SCHEMBL3821339 0.67 TARBP2 (0.49) TARBP2PDCD4ALDH1A1CYP1A2GAA
Hydrochloric Acid SCHEMBL11140661 0.66 ALDH1A1 (0.46) TARBP2PDCD4ALDH1A1CYP1A2GAA
SCHEMBL2616840 0.65 TARBP2 (0.58) TARBP2PDCD4ALDH1A1CYP1A2KDM4E
SCHEMBL21572852 0.65 ALDH1A1 (0.56) TARBP2ALDH1A1CYP1A2GAAKDM4E
SCHEMBL9869213 0.64 CA12 (0.46) TARBP2PDCD4ALDH1A1CYP1A2GAA
SCHEMBL3641559 0.64 FBP1 (0.53) TARBP2PDCD4ALDH1A1CYP1A2KDM4E

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