SCHEMBL5208250

SCHEMBL5208250

CC(=O)NCc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
USP30 Q70CQ3 1/20 0.50
KMT2A Q03164 2/20 0.47
IDO1 P14902 1/20 0.46
DDR1 Q08345 1/20 0.46
RIPK1 Q13546 8/20 0.46
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 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
SCHEMBL5620271 0.86 POLB (0.51) POLBUSP30KMT2AIDO1DDR1
SCHEMBL3147876 0.83 CYP1A2 (0.42) DDR1RIPK1NPSR1
SCHEMBL14453580 0.83 EPHX2 (0.49) LMNAPPARGPPARDPPARA
SCHEMBL11362695 0.82 POLB (0.48) POLBUSP30KMT2AIDO1DDR1
SCHEMBL1483170 0.82 POLB (0.48) POLBUSP30KMT2AIDO1DDR1
SCHEMBL4329523 0.80 CNR1 (0.45) RIPK1LMNA
SCHEMBL14453689 0.80 CFTR (0.50) POLBDDR1
SCHEMBL1054098 0.79 PTGDR2 (0.56)
SCHEMBL13104293 0.79 SETDB1 (0.56)
SCHEMBL14263401 0.79 IDO1 (0.54) POLBUSP30KMT2AIDO1

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 5 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
EP-1633715-B1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LTD (GB) 2007-09-05 EP disclosed
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