SCHEMBL7744191

SCHEMBL7744191

O=C(Nc1oc(-c2c(O)ccc3ccccc23)nc1-c1ccccc1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.48
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
TP53 P04637 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
WDR5 P61964 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMO Q99835 1/20 0.35

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
SCHEMBL7744158 0.88 KDR (0.43) KDRFLT1FLT4TP53MEN1
SCHEMBL7739093 0.85 KDR (0.66) KDRFLT1FLT4MEN1KMT2A
SCHEMBL14148538 0.82 TP53 (0.57) KDRFLT1FLT4TP53MEN1
SCHEMBL14148556 0.81 NPC1 (0.56) KDRFLT1FLT4TP53MEN1
SCHEMBL14040936 0.81 KDR (0.73) KDRFLT1FLT4TP53MEN1
SCHEMBL14148572 0.78 TP53 (0.47) KDRFLT1FLT4TP53MEN1
SCHEMBL14148568 0.77 TP53 (0.54) KDRFLT1FLT4TP53MEN1
SCHEMBL14148540 0.76 TP53 (0.53) KDRFLT1FLT4TP53MEN1
SCHEMBL14148551 0.75 HSD17B10 (0.46) KDRFLT1FLT4TP53MEN1
SCHEMBL14148536 0.75 KDR (0.49) KDRFLT1FLT4TP53MEN1

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 6 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
WO-2000002871-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-01-20 WO disclosed