SCHEMBL11023583

SCHEMBL11023583

CC(O)N(c1nc(N2CC[S+]([O-])CC2)c2ncnc(N3CCCCC3)c2n1)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 13/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
PDE2A O00408 1/20 0.41
RGS12 O14924 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCC5 O15440 1/20 0.41
PDE6D O43924 1/20 0.41
PDE8A O60658 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
PDE5A O76074 1/20 0.41
ABCB11 O95342 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL11026413 1.00 SLC29A1 (0.41) SLC29A1MAPTKDM4ELMNATSHR
SCHEMBL9565592 0.91 SLC29A1 (0.49) SLC29A1MAPTKDM4ELMNATSHR
SCHEMBL11027014 0.89 TP53 (0.40) SLC29A1MAPTKDM4ELMNATSHR
SCHEMBL11052608 0.87 PDE1B (0.35) SLC29A1MAPTKDM4EALDH1A1CYP3A4
SCHEMBL11054123 0.85 CUL4A (0.34) SLC29A1MAPTKDM4ELMNATSHR
SCHEMBL11026091 0.85
SCHEMBL11025913 0.85 SLC29A1 (0.33) SLC29A1MAPTKDM4ELMNATSHR
SCHEMBL11046272 0.83 SLC29A1 (0.34) SLC29A1MAPTKDM4ELMNATSHR
SCHEMBL4077875 0.82 SLC29A1 (0.43) SLC29A1MAPTKDM4ELMNATSHR
SCHEMBL11049838 0.82 SLC29A1 (0.34) 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 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