SCHEMBL7739074

SCHEMBL7739074

CC(=O)Nc1oc(-c2ccccc2-c2ccc([N+](=O)[O-])cc2O)nc1-c1ccsc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.53
FLT4 P35916 2/20 0.50
FLT1 P17948 1/20 0.50
EIF4E P06730 1/20 0.38
HPN P05981 1/20 0.37
ALOX15 P16050 1/20 0.37
DYRK1A Q13627 2/20 0.37
RAB9A P51151 1/20 0.37
PPARG P37231 1/20 0.37
RORC P51449 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK2A1 P68400 1/20 0.36
AURKB Q96GD4 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36

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
SCHEMBL7739006 0.90 KDR (0.43) KDRFLT4FLT1EIF4EHPN
SCHEMBL7739019 0.89 KDR (0.64) KDRFLT4FLT1HPNALOX15
SCHEMBL7746647 0.88 KDR (0.41) KDRFLT4FLT1ADORA2A
SCHEMBL7744065 0.85 KDR (0.54) KDRFLT4FLT1HPNALOX15
SCHEMBL7744747 0.85 KDR (0.47) KDRFLT4FLT1EIF4EALOX15
SCHEMBL7739067 0.84 KDR (0.52) KDRFLT4FLT1HPNRAB9A
SCHEMBL7744645 0.84 KDR (0.55) KDRFLT4FLT1HPNALOX15
SCHEMBL7746612 0.83 KDR (0.48) KDRFLT4FLT1ALOX15PPARG
SCHEMBL7744052 0.83 KDR (0.52) KDRFLT4FLT1EIF4EHPN
SCHEMBL7744176 0.83 KDR (0.48) KDRFLT4FLT1HPNALOX15

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