SCHEMBL7072044

SCHEMBL7072044

C[C@H](OCc1ccccc1)[C@@H](CCn1cc(C#N)c2ccccc21)n1cnc(C(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADA P00813 8/20 0.42
STAT3 P40763 1/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 3/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL7072049 1.00 ADA (0.42) ADASTAT3MAPTHTTPOLB
SCHEMBL6940434 0.86 ADA (0.56) ADASTAT3MAPTHTTPOLB
SCHEMBL6939147 0.82 ADA (0.52) ADA
SCHEMBL6169449 0.79 ADA (0.60) ADA
SCHEMBL5671892 0.79 ADA (0.55) ADA
SCHEMBL7072052 0.79 MAPT (0.45) ADASTAT3MAPTHTTPOLB
SCHEMBL6936452 0.78 ADA (0.42) ADAHTTTSHRMAPK1ALDH1A1
SCHEMBL6935838 0.78 ADA (0.46) ADA
SCHEMBL6169462 0.78 ADA (0.55) ADA
SCHEMBL6938443 0.77 ADA (0.54) 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