SCHEMBL7369625

SCHEMBL7369625

CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2cccc(C#N)c2)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.55
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
P2RX7 Q99572 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER2 P43116 1/20 0.41
EPHX2 P34913 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7368193 0.88 MAPK8 (0.56) MAPK8EPHX2PDE4APDE4BPDE4C
SCHEMBL7370447 0.87 MAPK8 (0.56) MAPK8ADRA2AADRA2BADRA2CHPGD
SCHEMBL7368548 0.86 MAPK8 (0.51) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL7365372 0.86 MAPK8 (0.74) MAPK8ADRA2AADRA2BADRA2CKMT2A
SCHEMBL7365167 0.85 MAPK8 (0.59) MAPK8
SCHEMBL7370703 0.84 MAPK8 (0.56) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL7367759 0.84 MAPK8 (0.56) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL7684087 0.84 MAPK8 (0.60) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL7367817 0.83 MAPK8 (0.73) MAPK8KMT2A
SCHEMBL7371219 0.83 MAPK8 (0.54) MAPK8EPHX2

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
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP claimed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO claimed
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