SCHEMBL5723707

SCHEMBL5723707

CC(=O)NCc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HPGD P15428 2/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
SETDB1 Q15047 1/20 0.47
GAA P10253 2/20 0.46
HSP90AA1 P07900 1/20 0.44
MAPT P10636 2/20 0.43
GFER P55789 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 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
Acetic Acid SCHEMBL11588216 0.80 CA12 (0.53) KMT2AMEN1HPGDCA12CA1
SCHEMBL13816964 0.78 CYP1A2 (0.54) KMT2AMEN1HPGDCA12CA1
SCHEMBL16155868 0.77 CYP3A4 (0.54) KMT2AMEN1HPGDCA12CA1
SCHEMBL6529545 0.77 LMNA (0.60) KMT2AMEN1LMNASETDB1GAA
SCHEMBL4066478 0.77 L3MBTL1 (0.48) L3MBTL1KMT2AHPGDCA1CA2
SCHEMBL5212277 0.76 TTR (0.58) KMT2AMEN1HPGDLMNAGAA
SCHEMBL5724270 0.76 SETDB1 (0.57) L3MBTL1KMT2AMEN1HPGDCA12
SCHEMBL5724700 0.76 P2RX7 (0.43) L3MBTL1HPGDLMNAPOLBSETDB1
SCHEMBL13888086 0.75 HSD17B10 (0.56) KMT2AMEN1HPGDCA12CA1
SCHEMBL2454738 0.75 KMT2A (0.49) KMT2AMEN1HPGDCA12CA1

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 disclosed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO disclosed