SCHEMBL7370609

SCHEMBL7370609

CC(=O)c1cccc(Oc2ncccc2C(=O)NCC2CCC(C(C)(C)O)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK8 P45983 2/20 0.44
AURKA O14965 1/20 0.42
LCK P06239 1/20 0.42
MET P08581 1/20 0.42
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
AURKB Q96GD4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 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
SCHEMBL7406794 0.89 MAPK8 (0.51) KMT2AMAPK8AURKALCKMET
SCHEMBL7677343 0.89 ALDH1A1 (0.42) MAPK8ALDH1A1GAA
SCHEMBL7677336 0.89 ALDH1A1 (0.42) MAPK8ALDH1A1GAA
SCHEMBL7371277 0.88 ALDH1A1 (0.48) MAPK8AURKALCKMETKDR
SCHEMBL7367298 0.88 ADRA2A (0.48) MAPK8AURKALCKMETKDR
SCHEMBL7368357 0.86 MEN1 (0.43) MEN1KMT2AMAPK8AURKALCK
SCHEMBL7680392 0.86 MEN1 (0.43) MEN1KMT2AMAPK8AURKALCK
SCHEMBL7404893 0.86 MAPK8 (0.45) MAPK8AURKALCKMETKDR
SCHEMBL7404897 0.86 MAPK8 (0.45) MAPK8AURKALCKMETKDR
SCHEMBL7371026 0.85 POLB (0.47) MEN1KMT2AMAPK8AURKALCK

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