SCHEMBL7986674

SCHEMBL7986674

CC(=O)Nc1oc(-c2cccc(-c3ccc(F)cc3)c2O)nc1-c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
MAPK14 Q16539 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7980770 0.91 KDR (0.46) KDRFLT1FLT4MEN1KMT2A
SCHEMBL7981622 0.90 KDR (0.44) KDRFLT1FLT4MEN1KMT2A
SCHEMBL7979899 0.87 KDR (0.52) KDRFLT1FLT4MEN1KMT2A
SCHEMBL7982851 0.85 KDR (0.52) KDRFLT1FLT4MAPK14ALOX15
SCHEMBL7983601 0.81 KDR (0.53) KDRFLT1FLT4MAPK14CCNE2
SCHEMBL7979634 0.80 MEN1 (0.45) KDRFLT1FLT4MEN1KMT2A
SCHEMBL7744200 0.79 KDR (0.53) KDRFLT1FLT4MEN1KMT2A
SCHEMBL7981592 0.78 ADCY1 (0.45) MEN1KMT2AALOX15KDM4EMAPK1
SCHEMBL7982881 0.78 ADCY1 (0.50) KDRMEN1KMT2ACCNE2CCNE1
SCHEMBL7982719 0.76 KDR (0.53) KDRFLT1FLT4KMT2ACCNE2

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