SCHEMBL7744786

SCHEMBL7744786

COc1cccc(-c2nc(-c3ccc(-c4cccc([N+](=O)[O-])c4)cc3O)oc2NC(=O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
PLAT P00750 1/20 0.50
HPN P05981 1/20 0.49
KDR P35968 2/20 0.49
HDAC2 Q92769 2/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ABCB1 P08183 2/20 0.46
ABCC1 P33527 1/20 0.46
TP53 P04637 2/20 0.46
USP2 O75604 1/20 0.45

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
SCHEMBL7746563 0.91 HDAC2 (0.53) HPNKDRHDAC2MAPTMEN1
SCHEMBL7738993 0.91 KDR (0.55) PLGPLAUPLATKDRHDAC2
SCHEMBL7744787 0.90 KDR (0.47) HPNKDRHDAC2MAPTMEN1
SCHEMBL7744646 0.90 KDR (0.56) PLGPLAUPLATHPNKDR
SCHEMBL7744650 0.87 HDAC2 (0.48) HPNKDRHDAC2MAPTMEN1
SCHEMBL7746635 0.86 HDAC2 (0.49) HPNKDRHDAC2MAPTMEN1
SCHEMBL7739023 0.85 HDAC2 (0.48) HPNKDRHDAC2MAPTMEN1
SCHEMBL7744075 0.85 MAPT (0.53) HPNHDAC2MAPTMEN1KMT2A
SCHEMBL7744790 0.85 HPN (0.43) PLGPLAUPLATHPNKDR
SCHEMBL7746621 0.85 HDAC2 (0.49) HPNKDRHDAC2MAPTMEN1

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