SCHEMBL9505073

SCHEMBL9505073

C=CCOC(=O)c1ccc(-c2cnc(CC=C)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.47
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.40
MAPT P10636 4/20 0.39
RAB9A P51151 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 1/20 0.34
HSP90AA1 P07900 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
SCHEMBL9501907 0.77 SNCA (0.50) SNCAMEN1KMT2ACYP3A4MAPT
SCHEMBL461801 0.77 SNCA (0.61) SNCAMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL175786 0.75 SNCA (0.67) SNCAMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL9066444 0.75 SNCA (0.52) SNCAMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL9505777 0.74 MAPT (0.41) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL9505062 0.74 SNCA (0.47) SNCAMEN1KMT2ACYP3A4MAPT
SCHEMBL9288915 0.72 ADRB2 (0.55) SNCAMEN1KMT2ACYP3A4MAPT
SCHEMBL13563232 0.71 MEN1 (0.51) SNCAMEN1KMT2ACYP3A4MAPT
SCHEMBL21063734 0.71 MEN1 (0.51) SNCAMEN1KMT2ACYP3A4MAPT
SCHEMBL13563231 0.71 MEN1 (0.51) SNCAMEN1KMT2ACYP3A4MAPT

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