SCHEMBL7367980

SCHEMBL7367980

CC(Cc1ccccc1)C(=O)c1cccnc1Oc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
PDE10A Q9Y233 2/20 0.50
MAPK8 P45983 1/20 0.50
UGCG Q16739 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL7370595 0.84 MAPK8 (0.50) MAPK8TDP1
SCHEMBL7371142 0.80 KMT2A (0.59) KMT2AMAPK8TDP1
SCHEMBL7371975 0.79 NAPRT (0.53)
SCHEMBL7367287 0.78 KMT2A (0.47) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL7369264 0.78 KMT2A (0.50) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL7369624 0.78 KMT2A (0.57) KMT2AMAPK8TDP1
SCHEMBL2779361 0.77 KMT2A (0.65) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL7373608 0.77 KMT2A (0.54) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL7405328 0.76 MAPK8 (0.55) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL7674701 0.76 KMT2A (0.64) KMT2APDE4APDE4BPDE4CPDE4D

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