SCHEMBL11025913

SCHEMBL11025913

COc1ncnc2c(N3CC[S+]([O-])CC3)nc(N(C(C)O)C(C)O)nc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 7/20 0.33
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
PDE2A O00408 1/20 0.30
RGS12 O14924 1/20 0.30
SLC22A2 O15244 1/20 0.30
SLC22A1 O15245 1/20 0.30
ABCC4 O15439 1/20 0.30
ABCC5 O15440 1/20 0.30
PDE6D O43924 1/20 0.30
PDE8A O60658 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
PDE5A O76074 1/20 0.30
ABCB11 O95342 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CHRM2 P08172 1/20 0.30
ABCB1 P08183 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 0.89 SLC29A1 (0.34) SLC29A1
SCHEMBL11315564 0.88 SLC29A1 (0.31) SLC29A1
SCHEMBL11021987 0.88 SLC29A1 (0.33) SLC29A1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL11044328 0.88 HRH4 (0.40) KDM4EPDE5AALDH1A1LMNAMAPT
SCHEMBL11046232 0.87 BCHE (0.33) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL11030154 0.86 SLC29A1 (0.32) SLC29A1
SCHEMBL11026793 0.86 ALDH1A1 (0.43) SLC29A1ALDH1A1LMNAHPGDTSHR
SCHEMBL11029550 0.85 PDGFRB (0.34) KDM4EPDE5AALDH1A1TSHRHSD17B10
SCHEMBL11026806 0.85 HRH4 (0.38) SLC29A1ALDH1A1LMNAHPGDTSHR
SCHEMBL11046272 0.85 SLC29A1 (0.34) SLC29A1KDM4EMEN1PDE2ARGS12

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