SCHEMBL5677073

SCHEMBL5677073

Cc1ccnc(NC(=O)C(C)(C)C)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TOP2A P11388 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.34
CFTR P13569 2/20 0.34

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
SCHEMBL30940154 0.85 L3MBTL1 (0.41) L3MBTL1LMNAALDH1A1MAPTCYP1A2
SCHEMBL620215 0.85 L3MBTL1 (0.41) L3MBTL1LMNAALDH1A1MAPTCYP1A2
SCHEMBL10298270 0.81 ATR (0.46) CA12CA1CA2CA9RAB9A
SCHEMBL16857001 0.79 TMIGD3 (0.39) L3MBTL1LMNAALDH1A1MAPTCYP1A2
SCHEMBL16856823 0.77 LMNA (0.44) L3MBTL1LMNAALDH1A1MAPTCYP1A2
SCHEMBL8333653 0.76 L3MBTL1 (0.41) L3MBTL1LMNAALDH1A1MAPTCYP1A2
SCHEMBL8328538 0.76 L3MBTL1 (0.41) L3MBTL1LMNAALDH1A1MAPTCYP1A2
SCHEMBL8329748 0.76 NOS2 (0.44) L3MBTL1LMNAALDH1A1MAPTCYP1A2
SCHEMBL27689557 0.75 L3MBTL1 (0.45) L3MBTL1LMNAALDH1A1MAPTCYP1A2
SCHEMBL2494002 0.74 RAB9A (0.59) L3MBTL1LMNAALDH1A1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988045-B1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NIELSEN PETER EIGIL (DK) 2006-02-08 EP disclosed
US-6632919-B1 Bind Watson-Crick base pairs in a double helix; specific for thymidine Nielsen, Peter (DK) 2003-10-14 US disclosed
EP-0988045-A4 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NIELSEN PETER EIGIL (DK) 2002-07-24 EP disclosed
EP-0988045-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NIELSEN, Peter Eigil (DK) 2000-03-29 EP disclosed
WO-1998052595-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1998-11-26 WO disclosed