SCHEMBL3454297

SCHEMBL3454297

CCOC(=O)c1cccnc1Oc1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 4/20 0.52
POLB P06746 2/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
RAB9A P51151 2/20 0.48
F10 P00742 1/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL7369234 0.86 L3MBTL1 (0.52) CYP1A2CYP2C9CYP2C19L3MBTL1MAPK1
SCHEMBL7370199 0.85 TDP1 (0.52) CYP1A2CYP2C9CYP2C19L3MBTL1TDP1
SCHEMBL20831533 0.84 TDP1 (0.72) CYP1A2CYP2C9CYP2C19L3MBTL1MAPK1
SCHEMBL7367524 0.84 ALDH1A1 (0.59) CYP1A2CYP2C9CYP2C19L3MBTL1TDP1
SCHEMBL7369272 0.84 L3MBTL1 (0.50) CYP1A2CYP2C9CYP2C19L3MBTL1MAPK1
SCHEMBL7366824 0.83 TDP1 (0.50) CYP1A2CYP2C9CYP2C19L3MBTL1MAPK1
SCHEMBL7366578 0.83 TDP1 (0.50) CYP1A2CYP2C9CYP2C19L3MBTL1TDP1
SCHEMBL7373604 0.83 TDP1 (0.50) CYP1A2CYP2C9CYP2C19L3MBTL1TDP1
SCHEMBL7372301 0.83 TDP1 (0.50) CYP1A2CYP2C9CYP2C19L3MBTL1MAPK1
SCHEMBL7369514 0.83 CARM1 (0.52) L3MBTL1MAPK1TDP1ALDH1A1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed