SCHEMBL6830817

SCHEMBL6830817

C=C[C@H](O)[C@H](Cc1cccc2oc(-c3ccc(Cl)cc3)nc12)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.41
BCHE P06276 1/20 0.36
HTR3A P46098 1/20 0.35
CASP3 P42574 2/20 0.33
SENP7 Q9BQF6 1/20 0.33
MAOA P21397 1/20 0.32
ADRA1A P35348 1/20 0.32
CETP P11597 4/20 0.32
UTRN P46939 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CEPT1 Q9Y6K0 1/20 0.31
ADK P55263 2/20 0.31
TARBP2 Q15633 1/20 0.30

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
SCHEMBL6831619 0.87 ADA (0.42) ADABCHEHTR3ACASP3SENP7
SCHEMBL6831266 0.83 ADA (0.42) ADABCHEHTR3ACASP3SENP7
SCHEMBL4584885 0.77 ADA (0.51) ADABCHEHTR3ACASP3SENP7
SCHEMBL4584332 0.74 ADA (0.37) ADABCHEHTR3ACASP3SENP7
SCHEMBL4584335 0.74 ADA (0.37) ADABCHEHTR3ACASP3SENP7
SCHEMBL6830883 0.72 ADA (0.42) ADABCHEHTR3ACASP3SENP7
SCHEMBL4584109 0.71 ADA (0.46) ADABCHEHTR3ACASP3SENP7
SCHEMBL4583760 0.69 HTR3A (0.39) ADABCHEHTR3ACASP3SENP7
SCHEMBL4583767 0.69 HTR3A (0.39) ADABCHEHTR3ACASP3SENP7
SCHEMBL4583762 0.69 HTR3A (0.39) ADABCHEHTR3ACASP3SENP7

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-1474421-A1 IMIDAZOLE 4-CARBOXAMIDE COMPOUNDS WITH ADENOSINE DEAMINASE INHIBITING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP disclosed
WO-2003068768-A1 IMIDAZOLE 4-CARBOXAMIDE COMPOUNDS WITH ADENOSINE DEAMINASE INHIBITING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 WO disclosed