SCHEMBL1747633

SCHEMBL1747633

COc1cccc(-c2cc(SC)c3c(n2)CCN(C(=O)O)C3=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
ADORA3 P0DMS8 2/20 0.41
ADORA2B P29275 2/20 0.41
ADORA1 P30542 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
WDR5 P61964 1/20 0.40
ADORA2A P29274 1/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
WNK1 Q9H4A3 1/20 0.39
HTT P42858 1/20 0.39
NR1H2 P55055 1/20 0.39

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
SCHEMBL8446562 0.88 PDE4B (0.41) PDE4BALDH1A1MAPTADORA3ADORA2B
SCHEMBL1746373 0.88 PDE4B (0.39) PDE4BALDH1A1ADORA3ADORA2BADORA1
SCHEMBL1746227 0.83 PDE4B (0.43) PDE4BALDH1A1MAPTADORA3ADORA2B
SCHEMBL1746476 0.81 AKT1 (0.37) PDE4BALDH1A1MAPK1LMNA
SCHEMBL1746301 0.81 KDM4E (0.41) PDE4BALDH1A1MAPTADORA3ADORA1
SCHEMBL8443924 0.77 BUB1 (0.44) PDE4BADORA1ADORA2A
SCHEMBL8442660 0.76 USP30 (0.39) PDE4BMEN1KMT2A
SCHEMBL8442707 0.73 PDE4B (0.41) PDE4BALDH1A1MAPTADORA3ADORA2B
SCHEMBL8442662 0.71 BUB1 (0.37) PDE4BALDH1A1HTT
SCHEMBL1746587 0.70 PDE4B (0.39) PDE4BALDH1A1ADORA3ADORA2BADORA1

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