SCHEMBL6938255

SCHEMBL6938255

CCCC(=O)Nc1ccc2ccn(CCC[C@@H](O[Si](C)(C)C(C)(C)C)n3cnc(C(N)=O)c3)c2c1.c1cc2cc-2c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADA P00813 19/20 0.60
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL6938297 0.92 ADA (0.71) ADAHDAC3HDAC1HDAC6
SCHEMBL6942389 0.88 ADA (0.70) ADA
SCHEMBL6936393 0.88 ADA (0.69) ADA
SCHEMBL7848242 0.87 ADA (0.72) ADA
SCHEMBL6940591 0.87 ADA (0.68) ADA
SCHEMBL6933268 0.87 ADA (0.55) ADA
SCHEMBL6940330 0.87 ADA (0.72) ADA
SCHEMBL6935388 0.86 ADA (0.72) ADA
SCHEMBL6936168 0.86 ADA (0.73) ADA
SCHEMBL6942833 0.86 ADA (0.72) 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 1 patent. 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