SCHEMBL7744641

SCHEMBL7744641

CC(=O)Nc1oc(-c2ccc(-c3cccc([N+](=O)[O-])c3)cc2O)nc1-c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.55
FLT1 P17948 1/20 0.51
FLT4 P35916 1/20 0.51
HPN P05981 1/20 0.45
PPARG P37231 2/20 0.45
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
THRB P10828 2/20 0.44
CNR1 P21554 1/20 0.41
ALDH1A1 P00352 2/20 0.41
P2RX1 P51575 1/20 0.40
TP53 P04637 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAC1 P63000 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
SCHEMBL7744063 0.94 KDR (0.54) KDRFLT1FLT4HPNPPARG
SCHEMBL7739018 0.91 KDR (0.62) KDRFLT1FLT4HPNMAPT
SCHEMBL7744175 0.90 KDR (0.49) KDRFLT1FLT4HPNPPARG
SCHEMBL7744650 0.89 HDAC2 (0.48) KDRFLT1FLT4HPNPPARG
SCHEMBL7746611 0.88 KDR (0.50) KDRFLT1FLT4HPNPPARG
SCHEMBL7744645 0.88 KDR (0.55) KDRFLT1FLT4HPNPPARG
SCHEMBL7739078 0.88 KDR (0.68) KDRFLT1FLT4MAPTSMN1; SMN2
SCHEMBL7744646 0.88 KDR (0.56) KDRFLT1FLT4HPNMAPT
SCHEMBL7739075 0.87 KDR (0.42) KDRFLT1FLT4HPNPPARG
SCHEMBL7739065 0.86 KDR (0.50) KDRFLT1FLT4HPNMAPT

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