SCHEMBL7654796

SCHEMBL7654796

COC(=O)c1ccnc2c(C(C)=O)cccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.68
KDM4E B2RXH2 7/20 0.58
SLC40A1 Q9NP59 3/20 0.56
MAP2K1 Q02750 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KDM4A O75164 1/20 0.45
RAB9A P51151 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
HIF1AN Q9NWT6 1/20 0.45
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL69886 0.92 PSMD14 (0.73) PSMD14KDM4ESLC40A1MAP2K1L3MBTL1
SCHEMBL7370092 0.84 NUDT1 (0.52) PSMD14KDM4EKDM4ARAB9AALDH1A1
SCHEMBL19642874 0.83 PSMD14 (0.69) PSMD14KDM4ESLC40A1MAP2K1L3MBTL1
SCHEMBL31424218 0.83 KDM4E (0.78) PSMD14KDM4ESLC40A1MAP2K1L3MBTL1
SCHEMBL10383135 0.83 KDM4E (0.78) PSMD14KDM4ESLC40A1MAP2K1L3MBTL1
SCHEMBL7372534 0.83 KDM4E (0.66) PSMD14KDM4ESLC40A1L3MBTL1KDM4A
SCHEMBL22492423 0.82 PSMD14 (0.68) PSMD14KDM4ESLC40A1MAP2K1L3MBTL1
SCHEMBL11973493 0.82 PSMD14 (0.68) PSMD14KDM4ESLC40A1MAP2K1L3MBTL1
SCHEMBL19642938 0.82 PSMD14 (0.68) PSMD14KDM4ESLC40A1MAP2K1L3MBTL1
SCHEMBL7377364 0.82 PSMD14 (0.68) PSMD14KDM4ESLC40A1MAP2K1L3MBTL1

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
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed