SCHEMBL5723909

SCHEMBL5723909

O=C(NCc1ccccc1O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.67
ALDH1A1 P00352 1/20 0.67
ERCC1 P07992 1/20 0.58
ERCC4 Q92889 1/20 0.58
GAA P10253 1/20 0.57
TTR P02766 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
AKR1B1 P15121 1/20 0.52
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL30646449 1.00 HPGD (0.67) HPGDALDH1A1ERCC1ERCC4GAA
SCHEMBL8339658 0.90 SMN1; SMN2 (0.70) HPGDALDH1A1SMN1; SMN2HIF1AHDAC1
SCHEMBL12459658 0.86 CA2 (0.52) HPGDALDH1A1ERCC1ERCC4SMN1; SMN2
SCHEMBL14817912 0.86 ALDH1A1 (0.51) HPGDALDH1A1ERCC1ERCC4SMN1; SMN2
SCHEMBL14817978 0.86 ALDH1A1 (0.59) HPGDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL15911107 0.83 SYK (0.69) HPGDALDH1A1ERCC1ERCC4GAA
SCHEMBL4839587 0.82 TSHR (0.59) HPGDALDH1A1KMT2AMEN1CYP2D6
SCHEMBL1813320 0.82 RAB9A (0.60) GAASMN1; SMN2KMT2AMEN1HIF1A
SCHEMBL3389986 0.81 HPGD (0.57) HPGDALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL10604929 0.81 HPGD (0.67) HPGDALDH1A1ERCC1ERCC4GAA

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