SCHEMBL7744787

SCHEMBL7744787

COc1cccc(-c2nc(-c3ccccc3-c3ccc([N+](=O)[O-])cc3O)oc2NC(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.47
MAPT P10636 5/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
USP2 O75604 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL7744648 0.91 KDR (0.55) KDRMAPTTP53SMN1; SMN2LMNA
SCHEMBL7744786 0.90 PLG (0.50) KDRMAPTTP53SMN1; SMN2LMNA
SCHEMBL7746566 0.90 FLT1 (0.49) KDRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7744652 0.87 KDR (0.44) KDRMAPTSMN1; SMN2LMNAMEN1
SCHEMBL7744794 0.86 PKM (0.43) KDRMAPTTP53SMN1; SMN2LMNA
SCHEMBL7744078 0.84 MAPT (0.49) KDRMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL7746638 0.84 FLT1 (0.43) KDRMAPTNPC1RAB9AMEN1
SCHEMBL7738993 0.83 KDR (0.55) KDRMAPTTP53SMN1; SMN2LMNA
SCHEMBL7746625 0.83 CA1 (0.46) MAPTLMNANPC1RAB9AMEN1
SCHEMBL7738996 0.83 KDR (0.52) KDRMAPTTP53SMN1; SMN2LMNA

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