SCHEMBL31025977

SCHEMBL31025977

CCOC(=O)c1cc2ccc(N3CCOCC3)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
LMNA P02545 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
PIK3CA P42336 1/20 0.46
CSNK1D P48730 1/20 0.46
LRRK2 Q5S007 1/20 0.43
MAPT P10636 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
KDM4E B2RXH2 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
GAA P10253 3/20 0.43
ALOX15 P16050 2/20 0.43
MC4R P32245 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL30492856 1.00 LGMN (0.51) LGMNSIRT2SIRT1LMNAMEN1
SCHEMBL31026002 0.88 KDM4E (0.47) LMNAMAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL30492912 0.88 KDM4E (0.47) LMNAMAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL25809773 0.87 HRH4 (0.43) LGMNLMNAMAPTKDM4EL3MBTL1
SCHEMBL17858381 0.87 MAPT (0.49) LGMNLMNAMEN1KMT2ALRRK2
SCHEMBL30492874 0.86 CHRNA7 (0.43) LGMNLMNAMEN1KMT2AMAPT
SCHEMBL25810428 0.86 CHRNA7 (0.43) LGMNLMNAMEN1KMT2AMAPT
SCHEMBL30492882 0.86 CHRNA7 (0.40) LGMNSIRT2SIRT1LMNACSNK1D
SCHEMBL25298855 0.85 CHRNA7 (0.43) LGMNLMNAMEN1KMT2AMAPT
SCHEMBL31025994 0.85 CHRNA7 (0.43) LGMNLMNAMEN1KMT2AMAPT

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-118488951-A Fused bicyclic heteroaryl amide compounds as inhibitors of protein aggregation 上海京新生物医药有限公司 2024-08-13 CN disclosed