SCHEMBL7366596

SCHEMBL7366596

OC(CCc1c(F)cc(F)cc1F)c1cccnc1Oc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
KMT2A Q03164 2/20 0.37
MAPK14 Q16539 1/20 0.36
MEN1 O00255 1/20 0.34
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CARM1 Q86X55 2/20 0.34
PRMT6 Q96LA8 2/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL7374722 0.81 KDM4E (0.44) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7370850 0.81 MAPK8 (0.43) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7368614 0.74 KMT2A (0.49) P2RY1PDE4APDE4BPDE4CPDE4D
SCHEMBL7367521 0.69 KMT2A (0.43) P2RY1KMT2AMEN1
SCHEMBL7369712 0.69 MAPK8 (0.59) KMT2A
SCHEMBL7684521 0.67 MAPK14 (0.42) MAPK14
SCHEMBL7401972 0.67 CYP1A2 (0.44) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL6995594 0.66 KMT2A (0.49) P2RY1PDE4APDE4BPDE4CPDE4D
SCHEMBL2893836 0.66 KMT2A (0.72) P2RY1PDE4APDE4BPDE4CPDE4D
SCHEMBL7374248 0.66 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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