SCHEMBL28090574

SCHEMBL28090574

COc1cccc(N(C)C=O)c1OC=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TLR2 O60603 1/20 0.37
ERN1 O75460 1/20 0.37
TLR1 Q15399 1/20 0.37
TLR6 Q9Y2C9 1/20 0.37
NFE2L2 Q16236 3/20 0.36
PRMT1 Q99873 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
APP P05067 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL2094352 0.80 SMN1; SMN2 (0.48) SRCALDH1A1SMN1; SMN2TLR2ERN1
SCHEMBL7827917 0.79 CA1 (0.46) ALDH1A1TLR2ERN1TLR1TLR6
SCHEMBL2094874 0.73 NFE2L2 (0.47) SRCALDH1A1SMN1; SMN2TLR2ERN1
SCHEMBL11039664 0.73 SRC (0.61) SRCALDH1A1TLR2ERN1TLR1
Formic Acid Methyl Ester SCHEMBL28069288 0.69 NFE2L2 (0.50) SRCALDH1A1SMN1; SMN2TLR2ERN1
SCHEMBL27872668 0.69 SRC (0.39) SRCALDH1A1SMN1; SMN2TLR2ERN1
SCHEMBL5270439 0.67 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2NFE2L2MEN1GAA
SCHEMBL97371 0.67 CA1 (0.62) ALDH1A1SMN1; SMN2TLR2ERN1TLR1
SCHEMBL3196051 0.66 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1GAAKMT2A
SCHEMBL14579653 0.66 TLR2 (0.44) ALDH1A1TLR2ERN1TLR1TLR6

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-105949079-A Method for preparing N-(2-formyl phenyl) N-substituted formamide derivatives by means of visible light catalysis 河南大学 2016-09-21 CN disclosed