SCHEMBL7744054

SCHEMBL7744054

CCCCC(=O)Nc1oc(-c2ccc(-c3cccc([N+](=O)[O-])c3)cc2O)nc1-c1c(Cl)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPN P05981 1/20 0.42
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSP90AA1 P07900 2/20 0.39
MAPK1 P28482 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CYP1A2 P05177 2/20 0.39
GSK3B P49841 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
SCHEMBL7744672 0.94 HPN (0.42) MEN1KMT2AHPNMAPTALDH1A1
SCHEMBL7744096 0.92 MEN1 (0.42) MEN1KMT2AHPNMAPTALDH1A1
SCHEMBL7739075 0.91 KDR (0.42) MEN1KMT2AHPNMAPTALDH1A1
SCHEMBL7744081 0.91 FLT1 (0.46) MEN1KMT2AHPNMAPTALDH1A1
SCHEMBL7744041 0.89 HPGD (0.46) MAPTALDH1A1HSP90AA1MAPK1HDAC1
SCHEMBL7744055 0.88 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1HSP90AA1
SCHEMBL7744175 0.87 KDR (0.49) MEN1KMT2AHPNMAPTALDH1A1
SCHEMBL7744758 0.87 ALDH1A1 (0.46) MEN1KMT2AHPNMAPTALDH1A1
SCHEMBL7744790 0.86 HPN (0.43) MEN1KMT2AHPNMAPTALDH1A1
SCHEMBL7744656 0.86 MEN1 (0.43) MEN1KMT2AHPNMAPTALDH1A1

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