SCHEMBL7680392

SCHEMBL7680392

CC(=O)c1cccc(Oc2ncccc2C(=O)NC[C@H]2CC[C@H]([C@@H](C)O)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK8 P45983 3/20 0.43
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 0.41
GAA P10253 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
SCHEMBL7368357 1.00 MEN1 (0.43) MEN1KMT2AMAPK8AURKALCK
SCHEMBL7370609 0.86 MEN1 (0.44) MEN1KMT2AMAPK8AURKALCK
SCHEMBL7371026 0.84 POLB (0.47) MEN1KMT2AMAPK8AURKALCK
SCHEMBL7368438 0.82 POLB (0.53) AURKALCKMETKDRTEK
SCHEMBL7371576 0.82 PDE4A (0.59) MAPK8AURKALCKMETKDR
SCHEMBL7371736 0.82 PDE4A (0.43) AURKALCKMETKDRTEK
SCHEMBL7374630 0.77 MAPK8 (0.58) KMT2AMAPK8
SCHEMBL7365059 0.77 MAPK8 (0.58) KMT2AMAPK8
SCHEMBL7365065 0.77 MAPK8 (0.58) KMT2AMAPK8
SCHEMBL7364476 0.77 PARP10 (0.48) KMT2AMAPK8AURKALCKMET

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 1 patent. 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