SCHEMBL11021987

SCHEMBL11021987

CC(C)CCOc1ncnc2c(N3CC[S+]([O-])CC3)nc(N(C(C)O)C(C)O)nc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.33
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL11049838 0.91 SLC29A1 (0.34) SLC29A1
SCHEMBL11030154 0.89 SLC29A1 (0.32) SLC29A1
SCHEMBL11025913 0.88 SLC29A1 (0.33) SLC29A1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL11031606 0.88 SLC29A1 (0.32) SLC29A1
SCHEMBL11315564 0.86 SLC29A1 (0.31) SLC29A1
SCHEMBL11047615 0.86 HRH4 (0.40) SLC29A1ALDH1A1HPGD
SCHEMBL11046910 0.85 HRH4 (0.38) SLC29A1ALDH1A1HPGD
SCHEMBL11026793 0.85 ALDH1A1 (0.43) SLC29A1ALDH1A1HPGD
SCHEMBL11052623 0.85 HRH4 (0.41) SLC29A1ALDH1A1HPGD
SCHEMBL11026806 0.84 HRH4 (0.38) SLC29A1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0055444-B1 TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-03-20 EP disclosed
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