SCHEMBL4259957

SCHEMBL4259957

NOC1C(O)[C@H](n2cnc3c2N=CN(N)C3N)O[C@@H]1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 4/20 0.49
AMPD3 Q01432 2/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
HTT P42858 2/20 0.38
BLM P54132 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
DNMT1 P26358 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
HBB P68871 1/20 0.38
PMP22 Q01453 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 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
SCHEMBL772296 0.88 ADA (0.63) ADAAMPD3ALDH1A1TP53HTT
SCHEMBL5064838 0.79 ADA (0.60) ADAAMPD3ALDH1A1TP53HTT
SCHEMBL136037 0.78 ADA (0.61) ADAAMPD3ALDH1A1TP53HTT
SCHEMBL2028602 0.78 ADA (0.61) ADAAMPD3ALDH1A1TP53HTT
SCHEMBL288325 0.76 ADA (0.58) ADAAMPD3ALDH1A1TP53HTT
SCHEMBL8000695 0.76 ADA (0.58) ADAAMPD3ALDH1A1TP53HTT
SCHEMBL899393 0.76 ADA (0.58) ADAAMPD3ALDH1A1TP53HTT
SCHEMBL3345754 0.76 ADA (0.60) ADAAMPD3ALDH1A1TP53HTT
SCHEMBL13727118 0.75 ADA (0.55) ADAALDH1A1TP53HTTBLM
SCHEMBL5950184 0.74 ADA (0.46) ADAAMPD3ALDH1A1TP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227209-B2 Process for producing functional non-naturally occurring proteins, and method for site-specific modification and immobilization of the proteins TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-07-24 US disclosed
US-20090011459-A1 Process for producing functional non-naturally occurring proteins, and method for site-specific modification and immobilization of the proteins TOKYO INSTITUTE OF TECHNOLOGY 2009-01-08 US disclosed