SCHEMBL7794842

SCHEMBL7794842

C=CCOC(=O)c1cnc(-c2ccccc2C(O)C(F)(F)F)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 1/20 0.42
RHOA P61586 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SNCA P37840 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 3/20 0.35
ADRB2 P07550 3/20 0.34
ADRB1 P08588 3/20 0.34
ADRB3 P13945 3/20 0.34
FGFR1 P11362 1/20 0.34
PTPRC P08575 1/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31

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 0.85 MEN1 (0.45) KMT2AMEN1CYP3A4RHOAALDH1A1
SCHEMBL7794838 0.81 SNCA (0.42) KMT2AMEN1CYP3A4RHOAALDH1A1
SCHEMBL7790883 0.81 CYP3A4 (0.50) KMT2AMEN1CYP3A4RHOAALDH1A1
SCHEMBL7785310 0.78 USP1 (0.31)
SCHEMBL8631222 0.73 CYP3A4 (0.40) KMT2AMEN1CYP3A4RHOAALDH1A1
SCHEMBL7790995 0.72 ADRB2 (0.39) TSHRHSD17B10MAPTADRB2ADRB1
SCHEMBL7785295 0.72 CYP3A4 (0.44) KMT2AMEN1CYP3A4RHOAALDH1A1
SCHEMBL7856837 0.70 CYP3A4 (0.54) KMT2AMEN1CYP3A4RHOAALDH1A1
SCHEMBL24653824 0.69 HPGD (0.45) KMT2AMEN1CYP3A4ALDH1A1TSHR
SCHEMBL7793925 0.69 PRKCA (0.32)

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-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-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