SCHEMBL7739072

SCHEMBL7739072

CC(=O)Nc1oc(-c2ccc(-c3cccc([N+](=O)[O-])c3)cc2O)nc1C1=CC(=S)CC=C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
HPN P05981 1/20 0.42
ABCB1 P08183 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 5/20 0.35
RAC1 P63000 1/20 0.35
THRB P10828 3/20 0.34
TP53 P04637 2/20 0.34
NQO2 P16083 1/20 0.34
ABCC1 P33527 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 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
SCHEMBL7739003 0.90 HPN (0.44) KDRFLT1FLT4HPNABCB1
SCHEMBL7746645 0.89 HPN (0.39) HPNSMN1; SMN2MAPTKDM4E
SCHEMBL7744769 0.88 KDR (0.53) KDRFLT1FLT4SMN1; SMN2KDM4E
SCHEMBL7982846 0.87 KDR (0.49) KDRFLT1FLT4NQO2
SCHEMBL7982717 0.85 KDR (0.44) KDRFLT1FLT4MAPTKDM4E
SCHEMBL7744746 0.83 HPN (0.45) KDRFLT1FLT4HPNABCB1
SCHEMBL7981120 0.83 KDR (0.47) KDRFLT1FLT4SMN1; SMN2MAPT
SCHEMBL7739018 0.83 KDR (0.62) KDRFLT1FLT4HPNABCB1
SCHEMBL7980279 0.83 KDR (0.47) KDRFLT1FLT4MAPTKDM4E
SCHEMBL7744175 0.81 KDR (0.49) KDRFLT1FLT4HPNABCB1

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