SCHEMBL7370595

SCHEMBL7370595

CC(Cc1ccccc1)C(=O)c1cccnc1Oc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.47
TBXAS1 P24557 2/20 0.47
ACACB O00763 1/20 0.42

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
SCHEMBL7367980 0.84 KMT2A (0.54) MAPK8TDP1
SCHEMBL7368640 0.78 ALDH1A1 (0.54) MAPK8TDP1ALDH1A1TBXAS1
SCHEMBL5216488 0.77 TDP1 (0.56) MAPK8TDP1ALDH1A1LMNA
SCHEMBL7677170 0.77 MAPK8 (0.54) MAPK8TDP1ALDH1A1
SCHEMBL7694995 0.76 TDP1 (0.55) MAPK8TDP1ALDH1A1LMNA
SCHEMBL13687413 0.76 TDP1 (0.67) MAPK8TDP1ALDH1A1
SCHEMBL7405287 0.76 MAPK8 (0.64) MAPK8TDP1ALDH1A1
SCHEMBL7401999 0.74 MAPK8 (0.55) MAPK8TDP1ALDH1A1
SCHEMBL7371975 0.74 NAPRT (0.53) ALDH1A1LMNATBXAS1
SCHEMBL7371084 0.74 MAPK8 (0.58) MAPK8TDP1ALDH1A1

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