SCHEMBL5726547

SCHEMBL5726547

O=C(NCc1cccc(-c2ccccc2)c1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.71
EPHX2 P34913 2/20 0.68
NR1H4 Q96RI1 2/20 0.68
EGFR P00533 2/20 0.65
AOC3 Q16853 2/20 0.65
SENP1 Q9P0U3 3/20 0.64
HDAC2 Q92769 3/20 0.62
HDAC8 Q9BY41 3/20 0.62
HDAC6 Q9UBN7 3/20 0.62
ERCC1 P07992 1/20 0.62
ERCC4 Q92889 1/20 0.62
PPARG P37231 1/20 0.61
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60

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
SCHEMBL5943942 0.91 HDAC6 (0.76) CFDEPHX2NR1H4EGFRAOC3
SCHEMBL11901042 0.90 HDAC6 (0.70) CFDNR1H4HDAC2HDAC8HDAC6
SCHEMBL6183707 0.89 ERN1 (0.61) CFDEPHX2NR1H4EGFRAOC3
SCHEMBL22047184 0.86 PPARG (0.78) CFDEPHX2NR1H4HDAC2HDAC8
SCHEMBL14107702 0.85 CFD (0.61) CFDEPHX2NR1H4EGFRAOC3
SCHEMBL13501302 0.85 NR1H4 (0.76) EPHX2NR1H4HDAC2HDAC8HDAC6
SCHEMBL254918 0.84 ROCK2 (0.78) EPHX2NR1H4EGFRSENP1HDAC2
SCHEMBL539059 0.84 EPHX2 (0.84) EPHX2NR1H4EGFRHDAC2HDAC8
SCHEMBL5943747 0.84 HDAC6 (0.79) CFDEPHX2NR1H4EGFRSENP1
SCHEMBL457082 0.84 HDAC6 (0.79) EPHX2NR1H4HDAC2HDAC8HDAC6

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-1633715-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS Pfizer Limited (GB) 2006-03-15 EP claimed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO claimed