SCHEMBL7744747

SCHEMBL7744747

CC(=O)Nc1oc(-c2ccccc2-c2ccc([N+](=O)[O-])cc2O)nc1-c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
MAPT P10636 8/20 0.46
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
ALOX15 P16050 1/20 0.38
POLB P06746 3/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
DYRK1A Q13627 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
PPARG P37231 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
SCHEMBL7744764 0.89 ADCY1 (0.45) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL7744776 0.87 MAPT (0.41) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL7739019 0.87 KDR (0.64) KDRFLT1FLT4MAPTMEN1
SCHEMBL7739074 0.85 KDR (0.53) KDRFLT1FLT4RAB9AALOX15
SCHEMBL7746612 0.85 KDR (0.48) KDRFLT1FLT4MAPTMEN1
SCHEMBL7744176 0.84 KDR (0.48) KDRFLT1FLT4MAPTMEN1
SCHEMBL7744065 0.83 KDR (0.54) KDRFLT1FLT4MAPTSMN1; SMN2
SCHEMBL7744052 0.83 KDR (0.52) KDRFLT1FLT4MAPTMEN1
SCHEMBL7744645 0.82 KDR (0.55) KDRFLT1FLT4MAPTALDH1A1
SCHEMBL7739067 0.82 KDR (0.52) KDRFLT1FLT4MAPTMEN1

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 8 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
US-6228871-B1 THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY MERCK & CO., INC. 2001-05-08 US 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