SCHEMBL7744645

SCHEMBL7744645

CC(=O)Nc1oc(-c2ccccc2-c2ccc([N+](=O)[O-])cc2O)nc1-c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.55
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52
PPARG P37231 4/20 0.44
MAPT P10636 3/20 0.42
THRB P10828 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
HPN P05981 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
ALOX15 P16050 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 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
SCHEMBL7744065 0.91 KDR (0.54) KDRFLT1FLT4PPARGMAPT
SCHEMBL7739019 0.91 KDR (0.64) KDRFLT1FLT4PPARGMAPT
SCHEMBL7744652 0.90 KDR (0.44) KDRFLT1FLT4PPARGMAPT
SCHEMBL7744641 0.88 KDR (0.55) KDRFLT1FLT4PPARGMAPT
SCHEMBL7744176 0.88 KDR (0.48) KDRFLT1FLT4PPARGMAPT
SCHEMBL7744648 0.88 KDR (0.55) KDRFLT1FLT4MAPTSMN1; SMN2
SCHEMBL7739077 0.88 KDR (0.42) KDRFLT1FLT4PPARGMAPT
SCHEMBL7746612 0.87 KDR (0.48) KDRFLT1FLT4PPARGMAPT
SCHEMBL7739067 0.86 KDR (0.52) KDRFLT1FLT4MAPTSMN1; SMN2
SCHEMBL7739074 0.84 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