SCHEMBL5212271

SCHEMBL5212271

NC(=O)c1ccccc1Cc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.60
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
PRMT1 Q99873 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.41
ADRA1D P25100 1/20 0.41
GAA P10253 1/20 0.41
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
KDM4E B2RXH2 2/20 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
SCHEMBL3461758 0.82 CD38 (0.46) HSP90AA1ALDH1A1HPGDCYP2C9CYP3A4
SCHEMBL5724328 0.81 HPGD (0.61) HSP90AA1ALDH1A1HSD17B10HPGDCYP2C9
SCHEMBL3461538 0.79 LMNA (0.50) ALDH1A1LMNAADRA1DKDM4EKMT2A
SCHEMBL7134588 0.79 TSHR (0.54) ALDH1A1HSD17B10HPGDCYP2C9CYP2C19
SCHEMBL18857466 0.78 HSP90AA1 (0.72) HSP90AA1ALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL67608 0.77 HSP90AA1 (0.74) HSP90AA1ALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL28138213 0.76 HSP90AA1 (0.56) HSP90AA1ALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL16341500 0.75 HSP90AA1 (0.62) HSP90AA1ALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL5723905 0.74 HSPA5 (0.61) ALDH1A1HSD17B10HPGDCYP2D6HIF1A
SCHEMBL3460044 0.73 L3MBTL1 (0.46) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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