SCHEMBL7744176

SCHEMBL7744176

CC(=O)Nc1oc(-c2ccccc2-c2ccc([N+](=O)[O-])cc2O)nc1-c1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.48
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
PPARG P37231 2/20 0.43
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
RORC P51449 1/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HPN P05981 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL7746612 0.93 KDR (0.48) KDRFLT1FLT4PPARGMAPT
SCHEMBL7746625 0.89 CA1 (0.46) PPARGMAPTLMNACXCR1CXCR2
SCHEMBL7744645 0.88 KDR (0.55) KDRFLT1FLT4PPARGMAPT
SCHEMBL7744065 0.88 KDR (0.54) KDRFLT1FLT4PPARGMAPT
SCHEMBL7739019 0.87 KDR (0.64) KDRFLT1FLT4PPARGMAPT
SCHEMBL7744055 0.87 MEN1 (0.41) PPARGMAPTLMNAKMT2AMEN1
SCHEMBL7744175 0.86 KDR (0.49) KDRFLT1FLT4PPARGMAPT
SCHEMBL7744747 0.84 KDR (0.47) KDRFLT1FLT4PPARGMAPT
SCHEMBL7744648 0.83 KDR (0.55) KDRFLT1FLT4MAPTLMNA
SCHEMBL7739074 0.83 KDR (0.53) KDRFLT1FLT4PPARGALOX15

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