SCHEMBL28577453

SCHEMBL28577453

COc1cc(N)ccc1NC(=O)Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.74
KMT2A Q03164 5/20 0.74
LMNA P02545 1/20 0.66
POLB P06746 1/20 0.59
HSD17B10 Q99714 1/20 0.58
ALDH1A1 P00352 2/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL11306171 0.84 MEN1 (0.66) MEN1KMT2ALMNAPOLBHSD17B10
SCHEMBL6169172 0.83 MEN1 (0.83) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL9524227 0.82 NPC1 (0.56) MEN1KMT2AALDH1A1HDAC1NPC1
SCHEMBL11311743 0.81 POLB (0.72) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL28587098 0.80 LMNA (1.00) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL16592515 0.79 GAA (0.59) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL11309038 0.79 MEN1 (0.60) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL3102961 0.79 MAPT (0.67) MEN1KMT2AHSD17B10ALDH1A1HDAC1
SCHEMBL2070193 0.79 HTT (0.56) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL29886123 0.79 MAPT (0.67) MEN1KMT2AHSD17B10ALDH1A1HDAC1

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-113061098-B Amide compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2022-08-30 CN disclosed
CN-113061098-A Amide compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2021-07-02 CN disclosed