SCHEMBL28615347

SCHEMBL28615347

COC(=O)c1ccc(COc2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.67
MEN1 O00255 6/20 0.67
RAB9A P51151 7/20 0.66
NPC1 O15118 6/20 0.66
MAPT P10636 5/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
KDM4E B2RXH2 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP1A2 P05177 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL10236929 0.88 RAB9A (0.82) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL11350421 0.88 RAB9A (0.82) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL28612693 0.87 MEN1 (0.73) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL31530135 0.85 MEN1 (0.66) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL6959174 0.85 NPC1 (0.73) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL10599882 0.84 MEN1 (0.70) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL3729907 0.83 NPC1 (0.75) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL12086470 0.83 RAB9A (0.80) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL5431174 0.83 ALDH1A1 (0.65) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL2731931 0.83 MEN1 (0.60) KMT2AMEN1RAB9ANPC1MAPT

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-113248398-B Hapten, artificial antigen and antibody for detecting phenacetin, and preparation method and application thereof 华南农业大学 2022-08-16 CN disclosed
CN-113248398-A Hapten, artificial antigen and antibody for detecting phenacetin, and preparation method and application thereof 华南农业大学 2021-08-13 CN disclosed