SCHEMBL7744668

SCHEMBL7744668

CC(=O)Nc1oc(-c2ccccc2-c2cccc(O)c2)nc1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.69
FLT1 P17948 1/20 0.69
FLT4 P35916 1/20 0.69
ALOX15 P16050 2/20 0.48
FABP4 P15090 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
NR4A2 P43354 1/20 0.44
ABL1 P00519 1/20 0.44
FYN P06241 1/20 0.43
NPC1 O15118 2/20 0.43
TSHR P16473 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NQO2 P16083 1/20 0.41
ADORA1 P30542 1/20 0.41
POLB P06746 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL7739089 0.92 KDR (0.60) KDRFLT1FLT4ALOX15FABP4
SCHEMBL7739080 0.90 KDR (0.62) KDRFLT1FLT4ALOX15ALDH1A1
SCHEMBL7746620 0.90 KDR (0.57) KDRFLT1FLT4ALOX15FABP4
SCHEMBL7739016 0.89 KDR (0.56) KDRFLT1FLT4ALOX15ALDH1A1
SCHEMBL7746642 0.89 KDR (0.55) KDRFLT1FLT4ALOX15FABP4
SCHEMBL7744664 0.89 KDR (0.55) KDRFLT1FLT4ALOX15FABP4
SCHEMBL7744772 0.88 KDR (0.61) KDRFLT1FLT4ALOX15FABP4
SCHEMBL7739017 0.88 KDR (0.62) KDRFLT1FLT4ALOX15FABP4
SCHEMBL7746601 0.87 KDR (0.53) KDRFLT1FLT4FABP4KDM4E
SCHEMBL7744200 0.87 KDR (0.53) KDRFLT1FLT4ALOX15KDM4E

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