SCHEMBL6583317

SCHEMBL6583317

COc1ccc(C2=NN(C(=O)c3cccc(NC(=O)c4ccc(NC(=O)c5ccc([N+](=O)[O-])cc5)cc4)c3)CCC2)cc1OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.49
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTGS2 P35354 2/20 0.46
SETD7 Q8WTS6 1/20 0.45
MAPT P10636 4/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
ABCB1 P08183 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
ALOX5 P09917 1/20 0.41
LMNA P02545 2/20 0.41
SNCA P37840 1/20 0.40

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
SCHEMBL6763131 0.94 PGR (0.46) PGRMEN1KMT2AALDH1A1CYP2C9
SCHEMBL6579233 0.91 PGR (0.49) PGRMEN1KMT2AALDH1A1CYP2C9
SCHEMBL6581786 0.89 PDE4B (0.49) PGRMEN1KMT2AALDH1A1CYP2C9
Dimethylamine SCHEMBL6763137 0.89 PGR (0.47) PGRMEN1KMT2AALDH1A1CYP2C9
SCHEMBL6583352 0.89 PGR (0.50) PGRMEN1KMT2AALDH1A1CYP2C9
SCHEMBL6584769 0.89 PGR (0.50) PGRMEN1KMT2AALDH1A1CYP2C9
SCHEMBL6584768 0.88 KMT2A (0.49) PGRMEN1KMT2AALDH1A1CYP2C9
SCHEMBL6579386 0.88 ALDH1A1 (0.43) PGRMEN1KMT2AALDH1A1MAPT
SCHEMBL6763134 0.88 MCHR1 (0.48) PGRMEN1KMT2AALDH1A1CYP2C9
SCHEMBL6582141 0.86 SETD7 (0.51) PGRMEN1KMT2AALDH1A1CYP2C9

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