SCHEMBL5724328

SCHEMBL5724328

NC(=O)c1ccccc1Cc1cc(Cl)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
MAPT P10636 4/20 0.61
HIF1A Q16665 3/20 0.61
ALOX15 P16050 3/20 0.61
CYP3A4 P08684 2/20 0.61
USP2 O75604 2/20 0.61
LMNA P02545 2/20 0.61
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HSPA5 P11021 2/20 0.61
SLC22A1 O15245 1/20 0.61
HSP90AA1 P07900 1/20 0.61
HSPD1 P10809 1/20 0.61
IDO1 P14902 1/20 0.61
ALOX12 P18054 1/20 0.61
CASP1 P29466 1/20 0.61
BLM P54132 1/20 0.61
HSPE1 P61604 1/20 0.61

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 0.86 CD38 (0.46) HPGDMEN1KMT2AMAPTHIF1A
SCHEMBL5723905 0.82 HSPA5 (0.61) HPGDMAPTHIF1ASMN1; SMN2HSPA5
SCHEMBL5212271 0.81 HSP90AA1 (0.60) HPGDKMT2AMAPTHIF1ACYP3A4
SCHEMBL3460044 0.81 L3MBTL1 (0.46) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL825001 0.80 MEN1 (0.80) HPGDMEN1KMT2AMAPTHIF1A
SCHEMBL7134588 0.80 TSHR (0.54) HPGDMEN1KMT2AMAPTHIF1A
Dichlorophen SCHEMBL16619827 0.78 CYP3A4 (0.91) HPGDMEN1KMT2AMAPTHIF1A
Dichlorophen SCHEMBL18052 0.78 CYP3A4 (1.00) HPGDMEN1KMT2AMAPTHIF1A
Dichlorophen SCHEMBL9109126 0.78 CYP3A4 (1.00) HPGDMEN1KMT2AMAPTHIF1A
Dichlorophen SCHEMBL29524636 0.78 CYP3A4 (1.00) HPGDMEN1KMT2AMAPTHIF1A

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