SCHEMBL9501907

SCHEMBL9501907

C=CCOC(=O)c1ccc(-c2ncc(CC=C)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.50
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP3A4 P08684 2/20 0.43
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RARB P10826 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35

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
SCHEMBL9505062 0.91 SNCA (0.47) SNCAMEN1KMT2ACYP3A4CSNK2A2
SCHEMBL9066444 0.84 SNCA (0.52) SNCAMEN1KMT2ACYP3A4CSNK2A2
SCHEMBL11389973 0.81 MAPT (0.51) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL8586984 0.81 RARB (0.55) CSNK2A2CSNK2A1ALDH1A1RARBMAPT
SCHEMBL461801 0.80 SNCA (0.61) SNCAMEN1KMT2ACYP3A4CSNK2A2
SCHEMBL175786 0.78 SNCA (0.67) SNCAMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL6025125 0.78 ALDH1A1 (0.43) CYP3A4ALDH1A1TSHRHSD17B10MAPT
SCHEMBL9505073 0.77 SNCA (0.47) SNCAMEN1KMT2ACYP3A4CSNK2A2
SCHEMBL9879844 0.77 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPTRAB9AL3MBTL1
SCHEMBL9638630 0.77 ALDH1A1 (0.42) MEN1KMT2ACYP3A4ALDH1A1TSHR

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-0260077-B1 PHENYL PYRIMIDINE COMPOUND AND LIQUID CRYSTALLINE COMPOSITION AJINOMOTO CO., INC. (JP) 1993-05-26 EP disclosed
EP-0244129-B1 OPTICALLY ACTIVE COMPOUND AND LIQUID CRYSTALLINE COMPOSITION AJINOMOTO CO., INC. (JP) 1992-11-11 EP disclosed
US-4892676-A FERROELECTRIC, HIGH SPEED RESPONSE AJINOMOTO CO., INC. (JP) 1990-01-09 US disclosed
US-4880561-A Optically active compound and liquid crystalline composition AJINOMOTO CO., INC. (JP) 1989-11-14 US disclosed