SCHEMBL7902855

SCHEMBL7902855

COC(=O)C1=CN2C(C)=C(C)NC2C(c2cccc(Cl)c2)=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX12 P18054 1/20 0.43
SLC6A3 Q01959 4/20 0.42
SLC6A2 P23975 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
GAA P10253 3/20 0.34
MAPK14 Q16539 1/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CASP1 P29466 1/20 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
SCHEMBL7913291 0.90 ALOX5 (0.42) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL7916991 0.83 SLC6A3 (0.42) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL7911681 0.81 MAPT (0.36) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL7902850 0.78 PGR (0.33) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL7930844 0.76 PGR (0.33) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL7916616 0.73 PDE4D (0.48) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL7907060 0.73 ALOX5 (0.42) ALDH1A1MAPTLMNAL3MBTL1JAK2
SCHEMBL7913175 0.71 MAOB (0.33) ALDH1A1MAPTLMNAALOX12SMN1; SMN2
SCHEMBL7911301 0.71 NLRP3 (0.35) ALDH1A1LMNAKMT2AL3MBTL1SMN1; SMN2
SCHEMBL7915330 0.69 MEN1 (0.36) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed