SCHEMBL7744672

SCHEMBL7744672

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.42
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 6/20 0.41
GAA P10253 3/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
HPGD P15428 3/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 3/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38

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
SCHEMBL7744054 0.94 MEN1 (0.42) HPNALDH1A1MEN1KMT2AHTT
SCHEMBL7744081 0.91 FLT1 (0.46) HPNALDH1A1MEN1KMT2AMAPT
SCHEMBL7744096 0.90 MEN1 (0.42) HPNALDH1A1MEN1KMT2AMAPT
SCHEMBL7739075 0.90 KDR (0.42) HPNALDH1A1MEN1KMT2AMAPT
SCHEMBL7744162 0.89 KDR (0.45) ALDH1A1GAASMN1; SMN2HPGDUSP2
SCHEMBL7744673 0.89 LMNA (0.40) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL7746611 0.88 KDR (0.50) HPNALDH1A1MEN1KMT2ALMNA
SCHEMBL7744758 0.86 ALDH1A1 (0.46) HPNALDH1A1MEN1KMT2AHTT
SCHEMBL7744790 0.85 HPN (0.43) HPNALDH1A1MEN1KMT2ALMNA
SCHEMBL7744656 0.85 MEN1 (0.43) HPNALDH1A1MEN1KMT2ALMNA

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