SCHEMBL28050696

SCHEMBL28050696

CN(C)C=c1ccc(=CN(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 4/20 0.32
ALOX15 P16050 2/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 4/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
POLB P06746 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAP1LC3B Q9GZQ8 1/20 0.30
PKM P14618 1/20 0.30
ALOX12 P18054 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL868703 0.60
SCHEMBL5188119 0.55 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2HTTHIF1A
Trimethylammonium SCHEMBL28521797 0.51 HRH3 (0.50) ALDH1A1MAPTSMN1; SMN2HTTHSD17B10
SCHEMBL15372069 0.47
SCHEMBL413517 0.47
SCHEMBL437226 0.47
SCHEMBL8671 0.47
SCHEMBL185083 0.47
SCHEMBL23451774 0.45
Dimethylformamide SCHEMBL1332179 0.45

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105622971-A Preparation method for membrane material prepared from sulfonated polyimide containing nitrogen atoms at side chain CHEN YUMEI 2016-06-01 CN disclosed