SCHEMBL6938294

SCHEMBL6938294

CCCCCC(=O)Nc1ccc2ccn(CC[C@H](CO[Si](C)(C)C(C)(C)C)n3cnc(C(N)=O)c3)c2c1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADA P00813 19/20 0.80
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL7848239 0.91 ADA (0.80) ADA
SCHEMBL6940327 0.91 ADA (0.80) ADA
SCHEMBL6936386 0.90 ADA (0.76) ADA
SCHEMBL6936163 0.90 ADA (0.81) ADA
SCHEMBL6940586 0.89 ADA (0.78) ADA
SCHEMBL6942802 0.89 ADA (1.00) ADA
SCHEMBL6942384 0.89 ADA (0.79) ADA
SCHEMBL6935383 0.88 ADA (0.81) ADA
SCHEMBL6933262 0.87 ADA (0.62) ADA
SCHEMBL6942527 0.87 ADA (0.82) ADA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596738-B1 Inhibiting activity to adenosine deaminase (hereinafter described as ADA) An adenosine deaminase inhibiting agent comprising a compound of the formula (I): FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed
EP-1161429-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-12 EP disclosed
WO-2000055155-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-21 WO disclosed