SCHEMBL7794838

SCHEMBL7794838

C=CCOC(=O)c1ccc(C(O)C(F)(F)F)c(-c2ncccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.42
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
RHOA P61586 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
FGFR1 P11362 1/20 0.34
RAB9A P51151 4/20 0.33
LMNA P02545 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7862166 0.85 SNCA (0.44) SNCACYP3A4MEN1KMT2AADRB2
SCHEMBL7794842 0.81 KMT2A (0.43) SNCACYP3A4MEN1KMT2AADRB2
SCHEMBL7785295 0.80 CYP3A4 (0.44) SNCACYP3A4MEN1KMT2AADRB2
SCHEMBL7795321 0.77 HTT (0.33) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL7790883 0.71 CYP3A4 (0.50) SNCACYP3A4MEN1KMT2AADRB2
SCHEMBL7785288 0.70 GAA (0.35) MEN1KMT2AADRB2ADRB1ALDH1A1
SCHEMBL11589916 0.69 MAPT (0.58) SNCACYP3A4MEN1KMT2ARHOA
SCHEMBL8631222 0.68 CYP3A4 (0.40) SNCACYP3A4MEN1KMT2ARHOA
SCHEMBL9576387 0.68 CYP3A4 (0.58) SNCACYP3A4MEN1KMT2AADRB2
SCHEMBL14780442 0.68 CES2 (0.56) CYP3A4MEN1KMT2AALDH1A1RAB9A

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