SCHEMBL6941436

SCHEMBL6941436

C[C@H](O)[C@@H](CCn1ncc2ccccc21)n1cnc(C(N)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADA P00813 9/20 0.60
KMO O15229 1/20 0.44

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
SCHEMBL6935838 0.85 ADA (0.46) ADAKMO
SCHEMBL6938258 0.82 ADA (0.61) ADA
SCHEMBL6942803 0.76 ADA (0.53) ADA
SCHEMBL6170037 0.76 ADA (0.72) ADA
SCHEMBL6173209 0.76 ADA (0.72) ADA
SCHEMBL6941444 0.76 KMO (0.44) ADAKMO
SCHEMBL6170627 0.75 ADA (0.73) ADA
SCHEMBL6172027 0.75 ADA (1.00) ADA
SCHEMBL6168397 0.75 ADA (1.00) ADA
SCHEMBL5673947 0.75 ADA (0.75) 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