SCHEMBL28519980

SCHEMBL28519980

CCCCNC(=O)c1cc(C)cc(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
RECQL P46063 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL6360338 0.91 MAPT (0.67) MAPTGAASMN1; SMN2ALDH1A1NPC1
SCHEMBL24590212 0.86 MAPT (0.65) MAPTGAASMN1; SMN2ALDH1A1NPC1
SCHEMBL1003426 0.86 SMN1; SMN2 (0.64) GAASMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL24202306 0.81 MAPT (0.56) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL6359507 0.81 KDM4E (0.65) MAPTGAASMN1; SMN2ALDH1A1NPC1
SCHEMBL18902272 0.80 L3MBTL1 (0.71) MAPTSMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL3827918 0.79 GAA (0.82) MAPTGAASMN1; SMN2ALDH1A1NPC1
SCHEMBL8437113 0.79 KDM4E (0.71) MAPTGAASMN1; SMN2ALDH1A1NPC1
SCHEMBL1004117 0.79 KMT2A (0.59) MAPTGAASMN1; SMN2ALDH1A1NPC1
SCHEMBL2914113 0.79 SMN1; SMN2 (0.79) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A

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-104761420-B Method for synthesizing amide from methyl aromatic hydrocarbon and amine in water phase 江西师范大学 2021-03-05 CN disclosed