SCHEMBL6935332

SCHEMBL6935332

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADA P00813 17/20 0.57
HTR2A P28223 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL6940660 0.89 ADA (0.58) ADA
SCHEMBL6938182 0.87 ADA (0.69) ADA
SCHEMBL6941954 0.86 ADA (0.69) ADAHTR2A
SCHEMBL6935334 0.85 ADA (0.81) ADA
SCHEMBL6940670 0.84 ADA (0.63) ADA
SCHEMBL6938856 0.83 ADA (0.80) ADA
SCHEMBL6935339 0.82 ADA (0.51) ADAHTR2AKDM4EHPGDHSD17B10
SCHEMBL6942581 0.81 ADA (0.81) ADA
SCHEMBL6933483 0.80 ADA (0.56) ADA
SCHEMBL6170281 0.79 ADA (0.56) 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