SCHEMBL7979617

SCHEMBL7979617

CC(=O)Nc1oc(-c2ccc(-c3ccc(C)cc3)cc2O)nc1-c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.55
FLT1 P17948 1/20 0.55
FLT4 P35916 1/20 0.55
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CG P48736 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
RXFP1 Q9HBX9 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP1A2 P05177 1/20 0.39
SLC2A1 P11166 1/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39

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
SCHEMBL7739014 0.94 KDR (0.63) KDRFLT1FLT4PIK3CAPIK3CG
SCHEMBL7983597 0.88 KDR (0.65) KDRFLT1FLT4PIK3CAPIK3CG
SCHEMBL7980820 0.88 KDR (0.66) KDRFLT1FLT4MAPTMEN1
SCHEMBL7979621 0.86 KDR (0.50) KDRFLT1FLT4MAPTMEN1
SCHEMBL7739065 0.85 KDR (0.50) KDRFLT1FLT4MAPTMEN1
SCHEMBL7983232 0.85 KDR (0.57) KDRFLT1FLT4MAPTPIK3CA
SCHEMBL7744663 0.84 KDR (0.76) KDRFLT1FLT4MAPTPIK3CG
SCHEMBL7744167 0.83 HDAC1 (0.53) KDRFLT1FLT4GAANPC1
SCHEMBL7744651 0.80 HPGD (0.51) KDRFLT1FLT4RAB9ACYP1A2
SCHEMBL7982616 0.80 KDR (0.56) KDRFLT1FLT4PIK3CAPIK3CG

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