SCHEMBL11049838

SCHEMBL11049838

CCCOc1ncnc2c(N3CC[S+]([O-])CC3)nc(N(C(C)O)C(C)O)nc12

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.34
ACACB O00763 1/20 0.30

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
SCHEMBL11030154 0.93 SLC29A1 (0.32) SLC29A1
SCHEMBL11021987 0.91 SLC29A1 (0.33) SLC29A1
SCHEMBL11031606 0.91 SLC29A1 (0.32) SLC29A1
SCHEMBL11025913 0.89 SLC29A1 (0.33) SLC29A1
SCHEMBL11315564 0.87 SLC29A1 (0.31) SLC29A1
SCHEMBL11047615 0.87 HRH4 (0.40) SLC29A1ACACB
SCHEMBL11046910 0.86 HRH4 (0.38) SLC29A1
SCHEMBL11026793 0.85 ALDH1A1 (0.43) SLC29A1
SCHEMBL11052623 0.85 HRH4 (0.41) SLC29A1
SCHEMBL11026806 0.85 HRH4 (0.38) SLC29A1

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-4478833-A ANTICOAGULANTS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-23 US disclosed
EP-0055444-A2 Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1982-07-07 EP disclosed