SCHEMBL7475820

SCHEMBL7475820

CCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)CCl

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.78
KMT2A Q03164 6/20 0.65
LMNA P02545 5/20 0.65
ALDH1A1 P00352 3/20 0.65
KDM4E B2RXH2 1/20 0.65
MAPT P10636 4/20 0.52
MEN1 O00255 5/20 0.51
FBP1 P09467 1/20 0.50
PPARG P37231 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 1/20 0.46
PKM P14618 1/20 0.46
CCR6 P51684 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 2/20 0.46

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
SCHEMBL7475824 1.00 GLO1 (0.78) GLO1KMT2ALMNAALDH1A1KDM4E
SCHEMBL10757963 1.00 GLO1 (0.78) GLO1KMT2ALMNAALDH1A1KDM4E
SCHEMBL8018753 0.93 GLO1 (0.90) GLO1KMT2ALMNAALDH1A1KDM4E
SCHEMBL11681247 0.90 GLO1 (0.82) GLO1KMT2ALMNAALDH1A1KDM4E
SCHEMBL7428613 0.88 GLO1 (0.78) GLO1KMT2ALMNAALDH1A1KDM4E
SCHEMBL7428618 0.88 GLO1 (0.78) GLO1KMT2ALMNAALDH1A1KDM4E
SCHEMBL6137191 0.88 GLO1 (1.00) GLO1KMT2ALMNAALDH1A1KDM4E
SCHEMBL6137188 0.88 GLO1 (1.00) GLO1KMT2ALMNAALDH1A1KDM4E
SCHEMBL7312484 0.88 GLO1 (1.00) GLO1KMT2ALMNAALDH1A1KDM4E
SCHEMBL29419558 0.88 GLO1 (1.00) GLO1KMT2ALMNAALDH1A1KDM4E

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-0212340-B1 2-(heteroalkyl)-1,4-dihydropyridines, process for their preparations and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA (IT) 1993-10-27 EP disclosed
US-5021436-A Antiulcer, anticoagulant, antiischaemic agent BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1991-06-04 US disclosed
US-4999362-A Hypotensive, Antiulcer, Cytoprotective, Antithrombotic Agents BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1991-03-12 US disclosed
US-4839348-A HYPOTENSIVE AGENTS; ANTICOAGULANTS, ANTIISCHEMIC AGENTS BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-06-13 US disclosed
EP-0233228-A1 PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1987-08-26 EP disclosed
EP-0212340-A1 2-(heteroalkyl)-1,4-dihydropyridines, process for their preparations and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1987-03-04 EP disclosed
WO-1987000836-A1 PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1987-02-12 WO disclosed