SCHEMBL7979682

SCHEMBL7979682

CC(=O)Nc1oc(-c2cccc(-c3ccc(-c4ccc5ccccc5c4)cc3)c2O)nc1C1=CC(=S)CC=C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
ALOX15 P16050 1/20 0.36
UTRN P46939 1/20 0.36
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
MAP4K4 O95819 1/20 0.32
ROS1 P08922 1/20 0.32
FLT3 P36888 1/20 0.32
MAPK8 P45983 1/20 0.32
GSK3B P49841 1/20 0.32
ITK Q08881 1/20 0.32
DYRK1A Q13627 1/20 0.32
AURKB Q96GD4 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL7744769 0.85 KDR (0.53) KDRFLT1FLT4ALOX15RAB9A
SCHEMBL7981120 0.83 KDR (0.47) KDRFLT1FLT4ALOX15RAB9A
SCHEMBL7979897 0.83 KDR (0.47) KDRFLT1FLT4ALOX15UTRN
SCHEMBL7982717 0.81 KDR (0.44) KDRFLT1FLT4ALOX15RAB9A
SCHEMBL7980279 0.81 KDR (0.47) KDRFLT1FLT4RAB9ANPC1
SCHEMBL7982846 0.80 KDR (0.49) KDRFLT1FLT4ALOX15
SCHEMBL7979899 0.78 KDR (0.52) KDRFLT1FLT4ALOX15UTRN
SCHEMBL7979692 0.78 KDR (0.54) KDRFLT1FLT4ALOX15UTRN
SCHEMBL7982616 0.78 KDR (0.56) KDRFLT1FLT4ALOX15UTRN
SCHEMBL7739072 0.77 KDR (0.43) KDRFLT1FLT4MAPTKDM4E

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-6228871-B1 THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY MERCK & CO., INC. 2001-05-08 US claimed