SCHEMBL6849679

SCHEMBL6849679

O=S(=O)(O)c1cccc(Nc2nc(Cl)nc(Nc3ccccc3S(=O)(=O)O)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 3/20 0.63
ENPP3 O14638 1/20 0.63
ENPP1 P22413 1/20 0.63
HPGDS O60760 1/20 0.55
USP2 O75604 1/20 0.52
APEX1 P27695 1/20 0.52
FUT8 Q9BYC5 3/20 0.50
P2RX7 Q99572 1/20 0.48
P2RX2 Q9UBL9 1/20 0.48
P2RY2 P41231 1/20 0.48
P2RY4 P51582 1/20 0.48
P2RY6 Q15077 1/20 0.48
P2RY13 Q9BPV8 1/20 0.48
P2RY12 Q9H244 1/20 0.48
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL6851119 0.87 MEN1 (0.61) CHATENPP3ENPP1USP2APEX1
SCHEMBL115411 0.86 NFKB1 (0.56) CHATENPP3ENPP1P2RY2P2RY4
SCHEMBL285816 0.86 HPGDS (0.57) CHATENPP3ENPP1HPGDSUSP2
SCHEMBL10766973 0.84 HPGDS (0.53) CHATENPP3ENPP1HPGDSUSP2
SCHEMBL8055072 0.83 TSHR (0.57) CHATENPP3ENPP1HPGDSUSP2
SCHEMBL9333401 0.82 HPGDS (0.62) CHATENPP3ENPP1HPGDSUSP2
SCHEMBL10596472 0.82 CHAT (0.59) CHATENPP3ENPP1HPGDSUSP2
SCHEMBL14625453 0.82 CHAT (0.62) CHATENPP3ENPP1HPGDSUSP2
SCHEMBL10490862 0.82 SNCA (0.54) CHATENPP3ENPP1CA12CA1
SCHEMBL2204783 0.81 CHAT (0.56) CHATENPP3ENPP1HPGDSUSP2

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
EP-0959975-B1 NOVEL AFFINITY LIGANDS AND THEIR USE NOVO NORDISK AS (DK) 2004-12-29 EP claimed