SCHEMBL7739093

SCHEMBL7739093

CC(=O)Nc1oc(-c2c(O)ccc3ccccc23)nc1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.66
FLT1 P17948 1/20 0.66
FLT4 P35916 1/20 0.66
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 1/20 0.44
NR4A2 P43354 1/20 0.44
MAPT P10636 3/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK10 P53779 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6743304 0.87 KDR (0.56) KDRFLT1FLT4ALOX15ALDH1A1
SCHEMBL7744191 0.85 KDR (0.48) KDRFLT1FLT4ALDH1A1KDM4E
SCHEMBL7739009 0.79 KDR (0.77) KDRFLT1FLT4ALOX15ALDH1A1
SCHEMBL7744663 0.76 KDR (0.76) KDRFLT1FLT4ALOX15ALDH1A1
SCHEMBL7744668 0.72 KDR (0.69) KDRFLT1FLT4ALOX15ALDH1A1
SCHEMBL7746582 0.72 KDR (0.62) KDRFLT1FLT4ALOX15ALDH1A1
SCHEMBL7739087 0.72 KDR (0.69) KDRFLT1FLT4ALDH1A1KDM4E
SCHEMBL7746644 0.71 KDR (0.62) KDRFLT1FLT4ALOX15ALDH1A1
SCHEMBL7983232 0.71 KDR (0.57) KDRFLT1FLT4ALOX15ALDH1A1
SCHEMBL7983236 0.70 KDR (0.54) KDRFLT1FLT4ALOX15ALDH1A1

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