SCHEMBL7969458

SCHEMBL7969458

O=C(Nc1oc(-c2cccc(-c3ccc(Cl)cc3)c2O)nc1-c1ccsc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.46
FLT1 P17948 2/20 0.42
KIT P10721 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CXCR5 P32302 1/20 0.39
APLNR P35414 1/20 0.39
OPRK1 P41145 1/20 0.39
CCR6 P51684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
FLT4 P35916 1/20 0.38
ADORA3 P0DMS8 2/20 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
SCHEMBL7986529 0.91 KDR (0.44) KDRFLT1KITMEN1KMT2A
SCHEMBL7986016 0.91 KDR (0.46) KDRFLT1KITMEN1KMT2A
SCHEMBL7980109 0.88 KDR (0.44) KDRFLT1KITMEN1KMT2A
SCHEMBL7969516 0.86 KDR (0.44) KDRFLT1KITMEN1KMT2A
SCHEMBL7981592 0.86 ADCY1 (0.45) MEN1KMT2APTGDR2KDM4ELMNA
SCHEMBL7746570 0.81 KDR (0.49) KDRFLT1KITMEN1KMT2A
SCHEMBL7969519 0.80 KDR (0.44) KDRFLT1KITMEN1KMT2A
SCHEMBL7982719 0.79 KDR (0.53) KDRFLT1KMT2AALOX15FLT4
SCHEMBL7982851 0.78 KDR (0.52) KDRFLT1KDM4EALOX15FLT4
SCHEMBL7979692 0.77 KDR (0.54) KDRFLT1ALOX15FLT4ADORA3

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