SCHEMBL11029347

SCHEMBL11029347

CC(C)CCSc1ncnc2c(N3CC[S+]([O-])CC3)nc(NCCO)nc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL11029563 0.90 SLC29A1 (0.47) SLC29A1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL11028065 0.90 SLC29A1 (0.45) SLC29A1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL11031534 0.86 SLC29A1 (0.42) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11027412 0.85 SLC29A1 (0.48) SLC29A1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL11029641 0.84 PDE4A (0.42) SLC29A1SMN1; SMN2ALDH1A1MAPTPDE4A
SCHEMBL11028323 0.84 SLC29A1 (0.45) SLC29A1SMN1; SMN2ALDH1A1MAPTPDE4A
SCHEMBL10973367 0.82 SMN1; SMN2 (0.33) SMN1; SMN2NPSR1
SCHEMBL11049810 0.82 PDE4A (0.40) SLC29A1SMN1; SMN2ALDH1A1MAPTPDE4A
SCHEMBL10971507 0.82 CYP1A2 (0.37) SLC29A1SMN1; SMN2ALDH1A1MAPTPDE4A
SCHEMBL11049628 0.82 SLC29A1 (0.43) SLC29A1SMN1; SMN2MAPTPDE4APDE4B

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
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