SCHEMBL7744055

SCHEMBL7744055

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 6/20 0.39
PPARG P37231 2/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 3/20 0.38
CYP1A2 P05177 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GSK3B P49841 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSP90AA1 P07900 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL7744673 0.94 LMNA (0.40) MEN1KMT2AHTTSMN1; SMN2PPARG
SCHEMBL7739077 0.90 KDR (0.42) MEN1KMT2AHTTSMN1; SMN2PPARG
SCHEMBL7744098 0.89 FLT1 (0.40) MEN1KMT2AHTTSMN1; SMN2PPARG
SCHEMBL7744083 0.89 KDR (0.47) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL7744054 0.88 MEN1 (0.42) MEN1KMT2AHTTSMN1; SMN2PPARG
SCHEMBL7744176 0.87 KDR (0.48) MEN1KMT2ASMN1; SMN2PPARGLMNA
SCHEMBL7744776 0.86 MAPT (0.41) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL7744794 0.85 PKM (0.43) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL7744672 0.85 HPN (0.42) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL7744763 0.85 KDM4E (0.46) MEN1KMT2AHTTSMN1; SMN2MAPT

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