SCHEMBL6583496

SCHEMBL6583496

CCOc1cc(C2=NN(C(=O)c3ccc(NC(=O)c4ccc(NC(=O)c5cccc([N+](=O)[O-])c5)cc4)cc3)CCC2)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.51
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PTGS2 P35354 1/20 0.48
PGR P06401 3/20 0.47
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 2/20 0.46
ABCB1 P08183 2/20 0.44
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
ABCC1 P33527 1/20 0.43
LMNA P02545 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
SCHEMBL6581955 0.97 SETD7 (0.52) SETD7KMT2AMEN1L3MBTL1PTGS2
SCHEMBL6582141 0.96 SETD7 (0.51) SETD7KMT2AMEN1L3MBTL1PTGS2
SCHEMBL6584769 0.94 PGR (0.50) SETD7KMT2AMEN1L3MBTL1PTGS2
SCHEMBL6583356 0.93 SETD7 (0.52) SETD7KMT2AMEN1L3MBTL1PTGS2
SCHEMBL6578966 0.93 PGR (0.55) KMT2AMEN1L3MBTL1PTGS2PGR
SCHEMBL6579233 0.92 PGR (0.49) SETD7KMT2AMEN1L3MBTL1PTGS2
SCHEMBL6584768 0.91 KMT2A (0.49) SETD7KMT2AMEN1L3MBTL1PTGS2
Dimethylamine SCHEMBL6763137 0.91 PGR (0.47) SETD7KMT2AMEN1L3MBTL1PTGS2
SCHEMBL6583352 0.91 PGR (0.50) SETD7KMT2AMEN1L3MBTL1PTGS2
SCHEMBL5202941 0.90 PGR (0.51) SETD7PGRMAPTALDH1A1HTT

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