SCHEMBL6935339

SCHEMBL6935339

Cn1cc(CCC[C@@H](O[Si](C)(C)C(C)(C)C)n2cnc(C(N)=O)c2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADA P00813 12/20 0.51
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2A P28223 1/20 0.38
GLS O94925 1/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL6940669 0.89 ADA (0.52) ADA
SCHEMBL6938186 0.87 ADA (0.62) ADA
SCHEMBL6935340 0.86 ADA (0.72) ADA
SCHEMBL6940673 0.86 ADA (0.56) ADA
SCHEMBL6938860 0.84 ADA (0.72) ADA
SCHEMBL6935332 0.82 ADA (0.57) ADAKDM4EHPGDHSD17B10MEN1
SCHEMBL6941961 0.82 ADA (0.53) ADAKDM4EHPGDHSD17B10MEN1
SCHEMBL6942584 0.82 ADA (0.73) ADA
SCHEMBL6933487 0.80 ADA (0.49) ADA
SCHEMBL6170286 0.79 ADA (0.46) 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