SCHEMBL7744646

SCHEMBL7744646

COc1cccc(-c2nc(-c3ccc(-c4cccc([N+](=O)[O-])c4)cc3O)oc2NC(C)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.56
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52
HPN P05981 1/20 0.47
PLAU P00749 2/20 0.47
PLG P00747 1/20 0.47
PLAT P00750 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC2A1 P11166 1/20 0.44
PIK3CD O00329 1/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA2B P29275 2/20 0.44
ADORA1 P30542 2/20 0.44

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
SCHEMBL7744786 0.90 PLG (0.50) KDRFLT1FLT4HPNPLAU
SCHEMBL7739018 0.89 KDR (0.62) KDRFLT1FLT4HPNMEN1
SCHEMBL7744648 0.89 KDR (0.55) KDRFLT1FLT4HPNMEN1
SCHEMBL7739015 0.88 KDR (0.68) KDRFLT1FLT4PLAUMEN1
SCHEMBL7744790 0.88 HPN (0.43) KDRHPNPLAUPLGPLAT
SCHEMBL7744641 0.88 KDR (0.55) KDRFLT1FLT4HPNMEN1
SCHEMBL7744063 0.86 KDR (0.54) KDRFLT1FLT4HPNMEN1
SCHEMBL7739065 0.85 KDR (0.50) KDRFLT1FLT4HPNMEN1
SCHEMBL7744175 0.85 KDR (0.49) KDRFLT1FLT4HPNMEN1
SCHEMBL7744049 0.84 KDR (0.52) KDRFLT1FLT4HPNMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097147-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2001-11-21 EP claimed
EP-1097147-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-05-09 EP claimed
WO-2000002871-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-01-20 WO claimed
EP-1097147-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1097147-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-05-09 EP disclosed
US-6228871-B1 THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY MERCK & CO., INC. 2001-05-08 US disclosed
WO-2000002871-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-01-20 WO disclosed