SCHEMBL6581013

SCHEMBL6581013

CCOc1cc(C2=NN(C(=O)c3cccc(NC(=O)c4ccc(NC(=O)c5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c3)CCC2)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PGR P06401 3/20 0.42
SETD7 Q8WTS6 1/20 0.42
CASP6 P55212 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS2 P35354 2/20 0.41
EGFR P00533 2/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6579233 0.93 PGR (0.49) POLBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6582141 0.92 SETD7 (0.51) POLBMEN1KMT2AL3MBTL1ALDH1A1
Dimethylamine SCHEMBL6763137 0.92 PGR (0.47) POLBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6583352 0.92 PGR (0.50) POLBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6584769 0.91 PGR (0.50) POLBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6584768 0.91 KMT2A (0.49) POLBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6581955 0.90 SETD7 (0.52) POLBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6583356 0.89 SETD7 (0.52) POLBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6583496 0.89 SETD7 (0.51) POLBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6578966 0.88 PGR (0.55) POLBMEN1KMT2AL3MBTL1ALDH1A1

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 2 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