SCHEMBL1747642

SCHEMBL1747642

COc1ccccc1-c1cc(S(C)(=O)=O)c2c(n1)CCN(C(=O)O)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
STAT3 P40763 2/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
PDE4B Q07343 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
ADORA3 P0DMS8 3/20 0.39
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
VCP P55072 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
CDC25C P30307 1/20 0.36
DUSP3 P51452 1/20 0.36

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
SCHEMBL8442097 0.89 KDM4E (0.40) NPSR1KDM4EHPGDLMNAHTT
SCHEMBL1746587 0.84 PDE4B (0.39) NPSR1KDM4EHPGDLMNAHTT
SCHEMBL1746301 0.83 KDM4E (0.41) NPSR1KDM4EHPGDLMNAHTT
SCHEMBL1746227 0.82 PDE4B (0.43) KDM4ELMNAMAPTPDE4BADORA3
SCHEMBL1747649 0.77 POLB (0.39) KDM4ELMNAHTTMAPTPDE4B
SCHEMBL1746282 0.76 PDE4B (0.35) PDE4B
SCHEMBL8444863 0.74 PDE4B (0.38) NPSR1KDM4EHPGDLMNAHTT
SCHEMBL8442707 0.71 PDE4B (0.41) NPSR1KDM4EHPGDMAPTPDE4B
SCHEMBL8443691 0.67 GPR119 (0.44)
SCHEMBL8443926 0.67 GPR119 (0.37) PDE4BCHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380890-A1 New 7,8-dihydro-1,6-naphthyridin-5(6h)-one-derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-10-26 EP disclosed
US-20110253549-A1 WASHING APPARATUS AND METHOD OF DEODORIZING WASHING WATER KANNO MINORU 2011-10-20 US disclosed