SCHEMBL5740508

SCHEMBL5740508

CS(=O)(=O)OCCc1nnn(-c2cccc(I)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
MPO P05164 1/20 0.33
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
S1PR4 O95977 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
S1PR1 P21453 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL2889477 0.88 HPGD (0.36) HPGDMPOFAAHMGLLABCG2
SCHEMBL5741959 0.87 PKM (0.38) HPGDALDH1A1LMNAMAPTRAB9A
SCHEMBL5739060 0.87 MAPT (0.43) HPGDALDH1A1LMNAMAPT
SCHEMBL5739267 0.83 HPGD (0.34) HPGDMPO
SCHEMBL5739576 0.83 GRM5 (0.45) ALDH1A1MAPTHTT
SCHEMBL2910592 0.77 HPGD (0.40) HPGDMPOFAAHMGLLABCG2
SCHEMBL2896574 0.75 HPGD (0.43) HPGDMPOFAAHMGLLABCG2
SCHEMBL2895781 0.74 PKM (0.39) HPGDMPOALDH1A1LMNAMAPT
SCHEMBL2897428 0.74 MAPT (0.45) HPGDALDH1A1LMNAMAPT
SCHEMBL2894710 0.72 GRM5 (0.39) HPGDMPOFAAHMGLLS1PR4

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-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP disclosed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 WO disclosed