SCHEMBL12192588

SCHEMBL12192588

CCN(CCO)c1cc(=O)nc(N)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 4/20 0.38
SLC29A1 Q99808 1/20 0.36
HTT P42858 1/20 0.36
BACE1 P56817 1/20 0.36
XDH P47989 3/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
HPRT1 P00492 1/20 0.32
PSMD14 O00487 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 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
SCHEMBL5039495 0.78 PDE3B (0.36) PNPSLC29A1HTTMAPTPSMD14
SCHEMBL14796347 0.77 BACE1 (0.45) PNPSLC29A1HTTBACE1XDH
SCHEMBL5041342 0.70 SLC29A1 (0.34) SLC29A1HTTMAPTPSMD14NPC1
SCHEMBL5036258 0.70 SLC29A1 (0.34) SLC29A1HTTMAPTPSMD14NPC1
SCHEMBL5036704 0.69 SLC29A1 (0.35) PNPSLC29A1HTTMAPTPSMD14
SCHEMBL5174154 0.68 SLC29A1 (0.35) SLC29A1HTTMAPTGAAPSMD14
SCHEMBL5036534 0.68 PLAU (0.33) PNPBACE1XDHKMT2APDE3B
SCHEMBL5036893 0.68 HTT (0.36) PNPSLC29A1HTTMAPTPSMD14
SCHEMBL6027839 0.66 SLC29A1 (0.35) PNPSLC29A1HTT
SCHEMBL3723702 0.65 BACE1 (0.44) PNPBACE1XDHADORA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006364-B2 Supramolecular polymers from low-melting, easily processable building blocks SUPRAPOLIX B.V. (NL) 2015-04-14 US disclosed
US-9006364-B2 Supramolecular polymers from low-melting, easily processable building blocks SUPRAPOLIX B.V. (NL) 2015-04-14 US disclosed
US-20140142256-A1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2014-05-22 US disclosed
US-20140142256-A1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2014-05-22 US disclosed
EP-2087027-B1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX BV (NL) 2011-10-05 EP disclosed
US-20100076147-A1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2010-03-25 US disclosed
US-20100076147-A1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2010-03-25 US disclosed
WO-2008063057-A2 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2008-05-29 WO disclosed