SCHEMBL1746227

SCHEMBL1746227

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.43
ADORA3 P0DMS8 2/20 0.41
ADORA2B P29275 2/20 0.41
ADORA1 P30542 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
WDR5 P61964 1/20 0.39
ADORA2A P29274 1/20 0.39
VCP P55072 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
WNK1 Q9H4A3 1/20 0.38
NEK2 P51955 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8442707 0.89 PDE4B (0.41) PDE4BADORA3ADORA2BADORA1MEN1
SCHEMBL1746587 0.88 PDE4B (0.39) PDE4BADORA3ADORA2BADORA1MEN1
SCHEMBL1747633 0.83 PDE4B (0.43) PDE4BADORA3ADORA2BADORA1MEN1
SCHEMBL1746282 0.79 PDE4B (0.35) PDE4B
SCHEMBL8446595 0.78 BUB1 (0.44) PDE4B
SCHEMBL8446562 0.74 PDE4B (0.41) PDE4BADORA3ADORA2BADORA1MEN1
SCHEMBL8443691 0.72 GPR119 (0.44)
SCHEMBL8442097 0.71 KDM4E (0.40) PDE4BADORA3ADORA1SMN1; SMN2KDM4E
SCHEMBL8443926 0.70 GPR119 (0.37) PDE4B
SCHEMBL1746600 0.70 PDE4B (0.60) PDE4B

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