SCHEMBL7368043

SCHEMBL7368043

O=C(NCC1CC1)c1cccnc1Oc1cncc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
MAPK8 P45983 3/20 0.47
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
DYRK1A Q13627 1/20 0.43
CACNA1I Q9P0X4 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
SCHEMBL7371912 0.95 P2RX7 (0.47) POLBMAPK8
SCHEMBL7368886 0.81 MAPK8 (0.50) POLBMAPK8
SCHEMBL7371277 0.81 ALDH1A1 (0.48) POLBMAPK8ALDH1A1GAACACNA1I
SCHEMBL7370304 0.80 HPGD (0.62) POLBMAPK8GAA
SCHEMBL7374717 0.79 MAPK8 (0.48) POLBMAPK8GAA
SCHEMBL7370770 0.79 MAPK8 (0.50) POLBMAPK8ALDH1A1
SCHEMBL7369860 0.79 MAPK8 (0.50) POLBMAPK8ALDH1A1
SCHEMBL7683603 0.78 POLB (0.54) POLBMAPK8ALDH1A1GAA
SCHEMBL7367990 0.78 RAB9A (0.52) POLBALDH1A1GAA
SCHEMBL7677336 0.78 ALDH1A1 (0.42) POLBMAPK8ALDH1A1GAACACNA1I

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