SCHEMBL7865023

SCHEMBL7865023

C=CCOc1ccc(C(C)O)cc1-c1ncccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ADRB2 P07550 3/20 0.40
ADRB1 P08588 3/20 0.40
CYP2D6 P10635 2/20 0.40
SLC22A1 O15245 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
GAA P10253 2/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 4/20 0.36

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
SCHEMBL7785288 0.84 GAA (0.35) KDM4EADRB2ADRB1CYP2D6SLC22A1
SCHEMBL7856801 0.83 HCRTR1 (0.34) KDM4EADRB2ADRB1MEN1KMT2A
SCHEMBL30744072 0.80 KDM4E (0.48) KDM4EADRB2ADRB1CYP2D6SLC22A1
SCHEMBL28474908 0.80 KDM4E (0.48) KDM4EADRB2ADRB1CYP2D6SLC22A1
SCHEMBL7864420 0.80 XDH (0.36) KDM4EADRB2ADRB1CYP2D6LMNA
SCHEMBL8517605 0.79 ADRB2 (0.39) KDM4EADRB2ADRB1CYP2D6SLC22A1
SCHEMBL7863562 0.77 ADRB2 (0.46) KDM4EADRB2ADRB1CYP2D6SLC22A1
SCHEMBL7856827 0.74 LMNA (0.45) KDM4EADRB2ADRB1CYP2D6SLC22A1
SCHEMBL10581838 0.69 CYP2D6 (0.56) ADRB2ADRB1CYP2D6SLC22A1LMNA
SCHEMBL7795329 0.68 NTRK1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067122-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-10 EP disclosed
US-5723610-A Alcohol reactants for forming phenylpyrimidine derivatives and process for preparing said alcohols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-03-03 US disclosed
US-5539115-A FERROELECTRIC CRYSTALS FOR OPTICAL APPARATUS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-23 US disclosed
EP-0435632-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-03 EP disclosed