SCHEMBL6583356

SCHEMBL6583356

CCOc1cc(C2=NN(C(=O)c3cccc(NC(=O)c4cccc(NC(=O)c5cccc([N+](=O)[O-])c5)c4)c3)CCC2)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.52
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PTGS2 P35354 1/20 0.49
POLB P06746 1/20 0.47
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
PGR P06401 3/20 0.44
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL6582141 0.97 SETD7 (0.51) SETD7KMT2AMEN1L3MBTL1PTGS2
SCHEMBL6581955 0.96 SETD7 (0.52) SETD7KMT2AMEN1L3MBTL1PTGS2
SCHEMBL6584768 0.95 KMT2A (0.49) SETD7KMT2AMEN1L3MBTL1PTGS2
SCHEMBL6583352 0.94 PGR (0.50) SETD7KMT2AMEN1L3MBTL1PTGS2
SCHEMBL6583496 0.93 SETD7 (0.51) SETD7KMT2AMEN1L3MBTL1PTGS2
SCHEMBL6579233 0.93 PGR (0.49) SETD7KMT2AMEN1L3MBTL1PTGS2
SCHEMBL5202941 0.92 PGR (0.51) SETD7POLBCYP2C9CYP1A2CYP3A4
SCHEMBL6584769 0.92 PGR (0.50) SETD7KMT2AMEN1L3MBTL1PTGS2
Dimethylamine SCHEMBL6763137 0.92 PGR (0.47) SETD7KMT2AMEN1L3MBTL1PTGS2
SCHEMBL6582371 0.90 NPC1 (0.49) KMT2AMEN1POLBMAPTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194411-B1 BENZOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2004-06-16 EP disclosed
US-6696446-B1 HETEROCYLCIC AMIDES SUCH AS N-(4-(3-(3-(3-ETHOXY-4-METHOXY PHENYL)-1,4,5,6-TETRAHYDRO-1-PYRIDAZINYLCARBONYL)PHENYLAMINO -CARBONYL)PHENYL)-4-NITROBENZAMIDE, SUED AS PHOSPHODIESTERASE INHIBITORSFOR PROPHYLAXIS OF ALLERGIES OR ASTHMA MERCK PATENT GMBH (DE) 2004-02-24 US disclosed
EP-1194411-A1 BENZOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2002-04-10 EP disclosed
WO-2001004099-A1 BENZOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2001-01-18 WO disclosed