SCHEMBL7744065

SCHEMBL7744065

CC(=O)Nc1oc(-c2ccccc2-c2ccc([N+](=O)[O-])cc2O)nc1-c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.54
FLT1 P17948 1/20 0.54
FLT4 P35916 1/20 0.54
PPARG P37231 3/20 0.41
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPN P05981 1/20 0.38
PSD A5PKW4 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGS2 P35354 1/20 0.38
AURKA O14965 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL7739019 0.92 KDR (0.64) KDRFLT1FLT4PPARGMAPT
SCHEMBL7744645 0.91 KDR (0.55) KDRFLT1FLT4PPARGMAPT
SCHEMBL7746638 0.89 FLT1 (0.43) KDRFLT1FLT4MAPTAURKA
SCHEMBL7746612 0.89 KDR (0.48) KDRFLT1FLT4PPARGMAPT
SCHEMBL7744052 0.88 KDR (0.52) KDRFLT1FLT4MAPTSMN1; SMN2
SCHEMBL7744176 0.88 KDR (0.48) KDRFLT1FLT4PPARGMAPT
SCHEMBL7744098 0.87 FLT1 (0.40) KDRFLT1FLT4PPARGMAPT
SCHEMBL7744063 0.87 KDR (0.54) KDRFLT1FLT4PPARGMAPT
SCHEMBL7739067 0.85 KDR (0.52) KDRFLT1FLT4MAPTSMN1; SMN2
SCHEMBL7739074 0.85 KDR (0.53) KDRFLT1FLT4PPARGHPN

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