SCHEMBL6940434

SCHEMBL6940434

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADA P00813 5/20 0.56
STAT3 P40763 1/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 1/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7072044 0.86 ADA (0.42) ADASTAT3MAPTPOLBHTT
SCHEMBL7072049 0.86 ADA (0.42) ADASTAT3MAPTPOLBHTT
SCHEMBL6938258 0.79 ADA (0.61) ADA
SCHEMBL6940438 0.77 MAPT (0.46) STAT3MAPTPOLBHTTLMNA
SCHEMBL6942803 0.75 ADA (0.53) ADAHTTTSHRL3MBTL1
SCHEMBL6941436 0.75 ADA (0.60) ADA
SCHEMBL6170037 0.73 ADA (0.72) ADA
SCHEMBL6173209 0.73 ADA (0.72) ADA
SCHEMBL6172027 0.72 ADA (1.00) ADA
SCHEMBL6168397 0.72 ADA (1.00) 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