SCHEMBL7744746

SCHEMBL7744746

CC(=O)Nc1oc(-c2ccc(-c3cccc([N+](=O)[O-])c3)cc2O)nc1C1=CC=CCC1=S

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.45
KDR P35968 5/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
ABCB1 P08183 2/20 0.38
MAPT P10636 6/20 0.37
RAC1 P63000 1/20 0.37
ATR Q13535 1/20 0.35
TP53 P04637 3/20 0.35
THRB P10828 2/20 0.35
POLB P06746 1/20 0.35
NQO2 P16083 1/20 0.35
ABCC1 P33527 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
SCHEMBL7744761 0.91 HPN (0.46) HPNKDRFLT1FLT4SMN1; SMN2
SCHEMBL7744773 0.89 HPN (0.41) HPNSMN1; SMN2MAPTTP53
SCHEMBL7744196 0.88 KDR (0.54) KDRFLT1FLT4SMN1; SMN2MAPT
SCHEMBL7986670 0.87 KDR (0.50) KDRFLT1FLT4SMN1; SMN2ATR
SCHEMBL7980768 0.85 KDR (0.45) KDRFLT1FLT4MAPTTP53
SCHEMBL7739018 0.84 KDR (0.62) HPNKDRFLT1FLT4SMN1; SMN2
SCHEMBL7739072 0.83 KDR (0.43) HPNKDRFLT1FLT4SMN1; SMN2
SCHEMBL7744175 0.81 KDR (0.49) HPNKDRFLT1FLT4SMN1; SMN2
SCHEMBL7744063 0.81 KDR (0.54) HPNKDRFLT1FLT4SMN1; SMN2
SCHEMBL7744641 0.81 KDR (0.55) HPNKDRFLT1FLT4SMN1; SMN2

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 8 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
US-6228871-B1 THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY MERCK & CO., INC. 2001-05-08 US 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