SCHEMBL5066904

SCHEMBL5066904

NC1C=CC=CN(CC(=O)O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APEX1 P27695 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
RAB9A P51151 1/20 0.30
ACE P12821 1/20 0.30
DPP4 P27487 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
SCHEMBL7501140 1.00 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1APEX1CA12CA9
SCHEMBL11007720 0.68 SMN1; SMN2 (0.33) SMN1; SMN2L3MBTL1
SCHEMBL27451981 0.68 ALDH1A1 (0.34) SMN1; SMN2L3MBTL1APEX1CA12CA9
SCHEMBL7062477 0.68 SMN1; SMN2 (0.35) SMN1; SMN2L3MBTL1APEX1ACEDPP4
SCHEMBL7058422 0.68 SMN1; SMN2 (0.35) SMN1; SMN2L3MBTL1APEX1ACEDPP4
SCHEMBL27287079 0.67 TSHR (0.36) SMN1; SMN2L3MBTL1APEX1CA12CA9
SCHEMBL6347888 0.62 SMN1; SMN2 (0.33) SMN1; SMN2L3MBTL1ACE
SCHEMBL11513013 0.62
SCHEMBL28187140 0.60 SMN1; SMN2 (0.30) SMN1; SMN2L3MBTL1
SCHEMBL1133635 0.59 P2RX4 (0.41) SMN1; SMN2APEX1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1639080-A4 A LIBRARY OF PHYLOGENETICALLY RELATED SEQUENCES COGNETIX INC (US) 2008-10-01 EP disclosed
EP-1639080-A2 A LIBRARY OF PHYLOGENETICALLY RELATED SEQUENCES Cognetix, Inc. (US) 2006-03-29 EP disclosed
WO-2004108901-A2 A LIBRARY OF PHYLOGENETICALLY RELATED SEQUENCES COGNETIX, INC. (US) 2004-12-16 WO disclosed
US-20040248189-A1 Method of making a library of phylogenetically related sequences NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-12-09 US disclosed