SCHEMBL7746563

SCHEMBL7746563

O=C(Nc1oc(-c2ccc(-c3cccc([N+](=O)[O-])c3)cc2O)nc1-c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.53
HPN P05981 1/20 0.51
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 4/20 0.46
HTT P42858 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP2 O95551 2/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL7746635 0.95 HDAC2 (0.49) HDAC2HPNFLT1FLT4KDR
SCHEMBL7739023 0.94 HDAC2 (0.48) HDAC2HPNFLT1FLT4KDR
SCHEMBL7744650 0.93 HDAC2 (0.48) HDAC2HPNFLT1FLT4KDR
SCHEMBL7744075 0.92 MAPT (0.53) HDAC2HPNABCG2KMT2AMEN1
SCHEMBL7746621 0.92 HDAC2 (0.49) HDAC2HPNFLT1FLT4KDR
SCHEMBL7744754 0.91 HDAC2 (0.48) HDAC2HPNABCG2KMT2AMEN1
SCHEMBL7744786 0.91 PLG (0.50) HDAC2HPNFLT1FLT4KDR
SCHEMBL7739018 0.89 KDR (0.62) HDAC2HPNFLT1FLT4KDR
SCHEMBL7746598 0.88 KDR (0.58) HDAC2FLT1FLT4KDRABCG2
SCHEMBL7746566 0.87 FLT1 (0.49) HDAC2HPNFLT1FLT4KDR

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