SCHEMBL28045702

SCHEMBL28045702

O=C(COc1ccccc1)NCCc1c[nH]c2ccccc12

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.83
GAA P10253 1/20 0.83
FAAH O00519 2/20 0.70
AANAT Q16613 1/20 0.67
KMT2A Q03164 6/20 0.65
MEN1 O00255 5/20 0.65
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
PKM P14618 1/20 0.62
TSHR P16473 1/20 0.62
CYP2C19 P33261 1/20 0.62
BLM P54132 1/20 0.62
MTNR1A P48039 2/20 0.61
MMP9 P14780 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL28454170 0.89 GAA (0.77) MAPTGAAFAAHAANATKMT2A
SCHEMBL9116077 0.85 MAPT (0.71) MAPTGAAFAAHAANATKMT2A
SCHEMBL7843769 0.83 GFER (0.63) MAPTGAAFAAHAANATKMT2A
SCHEMBL6703004 0.83 AANAT (0.75) MAPTGAAFAAHAANATKMT2A
SCHEMBL4856104 0.82 FAAH (1.00) MAPTFAAHAANATKMT2AMEN1
SCHEMBL5903804 0.81 AANAT (0.77) FAAHAANATKMT2AMEN1NPC1
SCHEMBL10069200 0.81 AANAT (0.77) AANATKMT2AMEN1NPC1RAB9A
SCHEMBL7677886 0.81 MEN1 (0.84) MAPTGAAAANATKMT2AMEN1
SCHEMBL6394942 0.81 MEN1 (0.76) MAPTFAAHAANATKMT2AMEN1
SCHEMBL5659833 0.81 MAPT (0.60) MAPTGAAFAAHAANATKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105198786-A Aryl-substituted amide compound, preparing method thereof, medicine composition comprising same, and application thereof INST MED BIOTECHNOLOGY CAMS 2015-12-30 CN claimed
CN-105198786-A Aryl-substituted amide compound, preparing method thereof, medicine composition comprising same, and application thereof INST MED BIOTECHNOLOGY CAMS 2015-12-30 CN disclosed