SCHEMBL7739009

SCHEMBL7739009

CC(=O)Nc1oc(-c2ccccc2O)nc1-c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.77
FLT1 P17948 1/20 0.77
FLT4 P35916 1/20 0.77
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
LMNA P02545 1/20 0.49
NR4A2 P43354 1/20 0.49
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.45
CASP3 P42574 3/20 0.44
SENP8 Q96LD8 3/20 0.44
SENP7 Q9BQF6 3/20 0.44
POLB P06746 3/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SENP6 Q9GZR1 2/20 0.43
CHUK O15111 1/20 0.43

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
SCHEMBL7744663 0.89 KDR (0.76) KDRFLT1FLT4ALDH1A1KDM4E
SCHEMBL7744649 0.86 KDR (0.58) KDRFLT1FLT4ALDH1A1KDM4E
SCHEMBL7744668 0.84 KDR (0.69) KDRFLT1FLT4ALDH1A1KDM4E
SCHEMBL7739087 0.84 KDR (0.69) KDRFLT1FLT4ALDH1A1KDM4E
SCHEMBL7746658 0.82 KDR (0.55) KDRFLT1FLT4ALDH1A1KDM4E
SCHEMBL7746616 0.81 KDR (0.65) KDRFLT1FLT4ALDH1A1KDM4E
SCHEMBL7746644 0.81 KDR (0.62) KDRFLT1FLT4ALDH1A1KDM4E
SCHEMBL7744662 0.81 KDR (0.61) KDRFLT1FLT4ALDH1A1KDM4E
SCHEMBL7739019 0.80 KDR (0.64) KDRFLT1FLT4ALDH1A1KDM4E
SCHEMBL7739014 0.80 KDR (0.63) KDRFLT1FLT4ALDH1A1KDM4E

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