SCHEMBL7856830

SCHEMBL7856830

C=CCOc1cnc(-c2ccccc2C(C)O)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ADRB2 P07550 4/20 0.40
ADRB1 P08588 4/20 0.40
CYP2D6 P10635 2/20 0.40
LMNA P02545 2/20 0.40
SLC22A1 O15245 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
ALDH1A1 P00352 1/20 0.37
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
PTPRC P08575 1/20 0.37
CHRNB2 P17787 3/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA4 P43681 3/20 0.36
ATM Q13315 1/20 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
SCHEMBL7862170 0.82 MEN1 (0.45) MAPTADRB2ADRB1CYP2D6LMNA
SCHEMBL7863558 0.81 USP1 (0.34) MAPTADRB2ADRB1CYP2D6LMNA
SCHEMBL7865075 0.81 USP1 (0.40) MAPTADRB2ADRB1CYP2D6LMNA
SCHEMBL8517468 0.80 CYP2D6 (0.39) MAPTADRB2ADRB1CYP2D6LMNA
SCHEMBL7856827 0.77 LMNA (0.45) MAPTADRB2ADRB1CYP2D6LMNA
SCHEMBL7863562 0.76 ADRB2 (0.46) MAPTADRB2ADRB1CYP2D6LMNA
SCHEMBL5854202 0.73 ADRB2 (0.58) ADRB2ADRB1CYP2D6LMNASLC22A1
SCHEMBL9498391 0.71 LMNA (0.37) MAPTLMNAALDH1A1USP1WDR48
SCHEMBL7856837 0.69 CYP3A4 (0.54) MAPTADRB2ADRB1LMNAALDH1A1
SCHEMBL8517374 0.69 ADRB2 (0.44) MAPTADRB2ADRB1CYP2D6LMNA

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