SCHEMBL6940904

SCHEMBL6940904

Cc1cc2ccccc2n1CCC[C@@H](O[Si](C)(C)C(C)(C)C)n1cnc(C(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADA P00813 16/20 0.42
KDM4E B2RXH2 2/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL6933487 0.86 ADA (0.49) ADA
SCHEMBL6940900 0.83 ADA (0.45) ADAKDM4ETP53
SCHEMBL6940283 0.82 ADA (0.47) ADAKDM4ETP53MEN1HTT
SCHEMBL6936327 0.80 ADA (0.51) ADA
SCHEMBL6940275 0.79 ADA (0.57) ADA
SCHEMBL6933243 0.79 ADA (0.53) ADA
SCHEMBL6942307 0.79 ADA (0.53) ADA
SCHEMBL6936415 0.79 ADA (0.60) ADA
SCHEMBL6935339 0.78 ADA (0.51) ADAKDM4ETP53MEN1KMT2A
SCHEMBL6941269 0.78 ADA (0.57) 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