SCHEMBL7791009

SCHEMBL7791009

C=CCc1ccc(C(O)C(F)(F)F)cc1-c1ncccn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ACSS2 Q9NR19 1/20 0.32
CASP6 P55212 1/20 0.32
XDH P47989 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CASP1 P29466 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL7864420 0.82 XDH (0.36) GABRA1GABRB2XDHKDM4EMEN1
SCHEMBL7785288 0.81 GAA (0.35) NTRK1KDM4EMEN1ALDH1A1GAA
SCHEMBL7793906 0.79 GABRA1 (0.39) GABRA1GABRB2KDM4EALDH1A1KMT2A
SCHEMBL7785295 0.77 CYP3A4 (0.44) NTRK1MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL7795329 0.77 NTRK1 (0.35) NTRK1HCRTR2
SCHEMBL7785307 0.75 GABRA1 (0.41) GABRA1GABRB2XDHKDM4EMEN1
SCHEMBL5139620 0.70 GABRA1 (0.48) GABRA1GABRB2CASP6KDM4EMEN1
SCHEMBL8517938 0.69 ADRB2 (0.34) GABRA1GABRB2KDM4EALDH1A1
SCHEMBL7791012 0.67 KDM5B (0.37) ACSS2
SCHEMBL7785310 0.66 USP1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0435632-B1 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 CO (JP) 2001-11-28 EP disclosed
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