SCHEMBL7744754

SCHEMBL7744754

O=C(Nc1oc(-c2ccc(-c3cccc([N+](=O)[O-])c3)cc2O)nc1-c1ccccc1Cl)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.48
MGAM O43451 2/20 0.47
GAA P10253 2/20 0.47
SI P14410 2/20 0.47
MGAM2 Q2M2H8 2/20 0.47
HPN P05981 1/20 0.47
MAPT P10636 6/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HTT P42858 3/20 0.44
LMNA P02545 3/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP2 O95551 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL7746621 0.94 HDAC2 (0.49) HDAC2MGAMGAASIMGAM2
SCHEMBL7746563 0.91 HDAC2 (0.53) HDAC2HPNMAPTKMT2AMEN1
SCHEMBL7746635 0.90 HDAC2 (0.49) HDAC2GAAHPNMAPTKMT2A
SCHEMBL7744650 0.90 HDAC2 (0.48) HDAC2HPNMAPTKMT2AMEN1
SCHEMBL7746611 0.90 KDR (0.50) MGAMGAASIMGAM2HPN
SCHEMBL7746649 0.89 KDR (0.47) HDAC2MAPTKMT2AMEN1LMNA
SCHEMBL7744757 0.88 MAPT (0.45) MGAMGAASIMGAM2MAPT
SCHEMBL7744075 0.85 MAPT (0.53) HDAC2HPNMAPTKMT2AMEN1
SCHEMBL7739023 0.85 HDAC2 (0.48) HDAC2HPNMAPTKMT2AMEN1
SCHEMBL7744672 0.84 HPN (0.42) HDAC2MGAMGAASIMGAM2

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