SCHEMBL7744052

SCHEMBL7744052

CC(=O)Nc1oc(-c2ccccc2-c2ccc([N+](=O)[O-])cc2O)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.52
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52
ABCG2 Q9UNQ0 2/20 0.40
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EIF4E P06730 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
P2RX1 P51575 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.37
HPN P05981 1/20 0.37
ADORA3 P0DMS8 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
SCHEMBL7739025 0.90 FLT1 (0.42) KDRFLT1FLT4MEN1KMT2A
SCHEMBL7739019 0.90 KDR (0.64) KDRFLT1FLT4ABCG2MEN1
SCHEMBL7744065 0.88 KDR (0.54) KDRFLT1FLT4MAPTSMN1; SMN2
SCHEMBL7744658 0.88 FLT1 (0.39) KDRFLT1FLT4TLR2TLR1
SCHEMBL7744049 0.88 KDR (0.52) KDRFLT1FLT4ABCG2TLR2
SCHEMBL7739074 0.83 KDR (0.53) KDRFLT1FLT4ABCG2EIF4E
SCHEMBL7744645 0.83 KDR (0.55) KDRFLT1FLT4ABCG2MAPT
SCHEMBL7739067 0.83 KDR (0.52) KDRFLT1FLT4MEN1KMT2A
SCHEMBL7744747 0.83 KDR (0.47) KDRFLT1FLT4MEN1KMT2A
SCHEMBL7746612 0.83 KDR (0.48) KDRFLT1FLT4MEN1KMT2A

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