SCHEMBL7969509

SCHEMBL7969509

O=C(Nc1oc(-c2ccc(-c3cccc4ccccc34)cc2O)nc1C1=CC(=S)CC=C1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.38
ACMSD Q8TDX5 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
SERPINE1 P05121 1/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.36
MAP1LC3A Q9H492 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 4/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 7/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL7981120 0.90 KDR (0.47) MCL1ACMSDFLT1FLT4KDR
SCHEMBL7746568 0.90 KDR (0.41) FLT1FLT4KDRHDAC6MAPT
SCHEMBL7986526 0.87 KDR (0.42) FLT1FLT4KDRHDAC6MAPT
SCHEMBL7969457 0.87 KDR (0.42) FLT1FLT4KDRSERPINE1MAPT
SCHEMBL7986013 0.87 KDR (0.39) FLT1FLT4KDRMAPTALDH1A1
SCHEMBL7980106 0.85 KDR (0.42) FLT1FLT4KDRMAPTTP53
SCHEMBL7739003 0.84 HPN (0.44) FLT1FLT4KDRMAPTALDH1A1
SCHEMBL7744769 0.81 KDR (0.53) FLT1FLT4KDRALDH1A1ALOX15
SCHEMBL7969519 0.78 KDR (0.44) MCL1ACMSDFLT1FLT4KDR
SCHEMBL7982846 0.76 KDR (0.49) FLT1FLT4KDRALOX15

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