SCHEMBL4246899

SCHEMBL4246899

CNc1ccc2[nH]cnc2c1C=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.39
EGLN1 Q9GZT9 1/20 0.35
LMNA P02545 2/20 0.34
PARP1 P09874 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 1/20 0.31
PDE2A O00408 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL27269511 0.78 PDPK1 (0.40) PDPK1EGLN1LMNAPARP1ALDH1A1
SCHEMBL27929366 0.74
SCHEMBL1081796 0.73 EGLN1 (0.46) PDPK1EGLN1LMNAPARP1ALDH1A1
SCHEMBL24241002 0.71 MEN1 (0.37) LMNAPARP1ALDH1A1PKMMEN1
SCHEMBL21137030 0.70 PARP1 (0.46) PDPK1PARP1ALDH1A1MEN1KMT2A
SCHEMBL19329710 0.68 EGLN1 (0.35) EGLN1LMNAPARP1ALDH1A1PKM
SCHEMBL1080012 0.67 EGLN1 (0.62) EGLN1
SCHEMBL14722366 0.66 ALDH1A1 (0.38) EGLN1LMNAPARP1ALDH1A1PKM
SCHEMBL2362289 0.65 LMNA (0.34) LMNAPARP1ALDH1A1PKMMEN1
SCHEMBL3855175 0.64 MEN1 (0.42) PDPK1LMNAPARP1ALDH1A1PKM

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-2009134850-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-11-05 WO claimed