SCHEMBL5799080

SCHEMBL5799080

COC(=O)c1ccc(OC(F)F)c2nc3ccccc3cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.46
UHRF1 Q96T88 1/20 0.46
KDM4E B2RXH2 6/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
DHODH Q02127 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
NR1I2 O75469 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5796131 0.86 NPC1 (0.47) RAD52UHRF1KDM4ERAB9ANPC1
SCHEMBL5799064 0.86 RAD52 (0.56) RAD52UHRF1KDM4ERAB9ANPC1
SCHEMBL5795249 0.80 KDM4E (0.55) RAD52UHRF1KDM4EDHODHPOLB
SCHEMBL5798941 0.79 MAPT (0.51) KDM4ERAB9ANPC1KMT2AGAA
SCHEMBL8270336 0.78 PDE4D (0.51)
SCHEMBL6068261 0.75 KDM4E (0.68) KDM4ETDP1GAAALDH1A1
SCHEMBL13425642 0.75 RAD52 (0.48) RAD52UHRF1KDM4ERAB9ADHODH
SCHEMBL5796954 0.75 RAD52 (0.54) RAD52UHRF1KDM4ERAB9ANPC1
SCHEMBL27546693 0.74 KDM4E (0.56) KDM4ERAB9ANPC1DHODHPOLB
SCHEMBL2445471 0.74 RAD52 (0.47) RAD52UHRF1KDM4ERAB9ADHODH

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