SCHEMBL5795249

SCHEMBL5795249

COC(=O)c1ccc(O)c2nc3ccccc3cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
RAD52 P43351 2/20 0.46
UHRF1 Q96T88 1/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5799064 0.85 RAD52 (0.56) KDM4EKMT2AMEN1MAPTRAD52
SCHEMBL13425642 0.81 RAD52 (0.48) KDM4EKMT2AMEN1MAPTRAD52
SCHEMBL5799080 0.80 RAD52 (0.46) KDM4EKMT2AMEN1MAPTRAD52
SCHEMBL27546693 0.80 KDM4E (0.56) KDM4EKMT2AMEN1MAPTTSHR
SCHEMBL2445471 0.80 RAD52 (0.47) KDM4EKMT2AMEN1MAPTRAD52
Hydrochloric Acid SCHEMBL28301754 0.78 KDM4E (0.55) KDM4EKMT2AMEN1MAPTTSHR
SCHEMBL15653347 0.77 KDM4E (0.56) KDM4EKMT2AMEN1MAPTTSHR
SCHEMBL7030506 0.77 KDM4E (0.56) KDM4EKMT2AMEN1TSHRLMNA
SCHEMBL16234345 0.76 KDM4E (0.51) KDM4EKMT2AMEN1MAPTTSHR
SCHEMBL3722173 0.74 KDM4E (0.60) KDM4EKMT2AMEN1MAPTRAD52

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-2006040650-A1 4-METHOXYACRIDINE-1-CARBOXAMIDE DERIVATIVES AND THE PHENAZINE AND OXANTHRENE ANALOGS AS PDE4-INHIBITORS FOR THE TREATMENT OF ASTHMA AND CHRONIC PULMONARY DISEASE (COPD) GLENMARK PHARMACEUTICALS S.A. (US) 2006-04-20 WO disclosed