SCHEMBL10967183

SCHEMBL10967183

CC(C)(CO)CNc1nc(N2CC[S+]([O-])CC2)c2ncnc(N3CCCCC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 8/20 0.46
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PDE2A O00408 1/20 0.32
RGS12 O14924 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCC5 O15440 1/20 0.32
PDE6D O43924 1/20 0.32
PDE8A O60658 1/20 0.32
GMNN O75496 1/20 0.32

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
SCHEMBL11045486 0.84 SLC29A1 (0.68) SLC29A1MEN1KMT2AADORA2AADORA1
SCHEMBL11030143 0.84 SLC29A1 (0.68) SLC29A1MEN1KMT2AADORA2AADORA1
SCHEMBL11026116 0.83 SLC29A1 (0.66) SLC29A1MEN1KMT2ALMNAALDH1A1
SCHEMBL10970635 0.82 SLC29A1 (0.47) SLC29A1MEN1KMT2AADORA2AADORA1
SCHEMBL10972595 0.82 SLC29A1 (0.58) SLC29A1MEN1KMT2AADORA2AADORA1
SCHEMBL11026470 0.82 SLC29A1 (0.36) SLC29A1LMNANPSR1KDM4EALDH1A1
SCHEMBL10972553 0.80 SLC29A1 (0.47) SLC29A1MEN1KMT2AADORA2AADORA1
SCHEMBL10663514 0.75 HTT (0.38) SLC29A1ADORA2ANPC1PKMLMNA
SCHEMBL11049906 0.75 HTT (0.38) SLC29A1ADORA2ANPC1PKMLMNA
SCHEMBL10971599 0.75 HTT (0.38) SLC29A1ADORA2ANPC1PKMLMNA

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