SCHEMBL7744049

SCHEMBL7744049

CC(=O)Nc1oc(-c2ccc(-c3cccc([N+](=O)[O-])c3)cc2O)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.52
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPN P05981 1/20 0.44
ABCG2 Q9UNQ0 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ABCB1 P08183 1/20 0.39
RAC1 P63000 1/20 0.37
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
P2RX1 P51575 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.37
NQO2 P16083 1/20 0.37

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
SCHEMBL7739018 0.91 KDR (0.62) KDRFLT1FLT4MEN1MAPT
SCHEMBL7739023 0.90 HDAC2 (0.48) KDRFLT1FLT4MEN1LMNA
SCHEMBL7744063 0.88 KDR (0.54) KDRFLT1FLT4MEN1LMNA
SCHEMBL7744656 0.88 MEN1 (0.43) KDRFLT1FLT4MEN1LMNA
SCHEMBL7744052 0.88 KDR (0.52) KDRFLT1FLT4MEN1LMNA
SCHEMBL7746616 0.87 KDR (0.65) KDRFLT1FLT4LMNA
SCHEMBL7744641 0.86 KDR (0.55) KDRFLT1FLT4MEN1MAPT
SCHEMBL7739065 0.85 KDR (0.50) KDRFLT1FLT4MEN1MAPT
SCHEMBL7744175 0.85 KDR (0.49) KDRFLT1FLT4MEN1LMNA
SCHEMBL7744646 0.84 KDR (0.56) KDRFLT1FLT4MEN1LMNA

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