SCHEMBL2829211

SCHEMBL2829211

CCN(CCCO)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA9 Q16790 3/20 0.42
LMNA P02545 1/20 0.39
ALDH1A1 P00352 4/20 0.34
ALDH2 P05091 2/20 0.34
MLYCD O95822 1/20 0.34
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MMP8 P22894 2/20 0.33
CA2 P00918 1/20 0.33
NTRK2 Q16620 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
MGLL Q99685 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL2830770 0.86
SCHEMBL194060 0.85 NTRK2 (0.36) CA12CA1CA9NTRK2
SCHEMBL2827083 0.84 CA12 (0.41) CA12CA1CA9LMNAALDH1A1
SCHEMBL2829319 0.84 CA12 (0.48) CA12CA1CA9LMNAALDH1A1
SCHEMBL293118 0.84 CA12 (0.59) CA12CA1CA9LMNAALDH1A1
SCHEMBL5197804 0.82 CA12 (0.52) CA12CA1CA9LMNAALDH1A1
SCHEMBL11317847 0.81 NTRK2 (0.38) NTRK2
SCHEMBL2843504 0.81 NTRK2 (0.34) CA12CA1CA9CA2NTRK2
SCHEMBL25227874 0.80 MGLL (0.52) CA12CA1CA9MMP1MMP2
SCHEMBL25224505 0.80 MGLL (0.52) CA12CA1CA9MMP1MMP2

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-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP disclosed
US-7511038-B2 Pyridazin-3(2H)-one derivatives and their use as PDE4 inhibitors LABORATORIOS ALMIRALL S.A. (ES) 2009-03-31 US disclosed
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP disclosed