SCHEMBL28668178

SCHEMBL28668178

N#CC(N)=Cc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
GLA P06280 1/20 0.44
KIF20A O95235 1/20 0.43
HTT P42858 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
THRB P10828 2/20 0.41

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
SCHEMBL28692843 0.98 MAPT (0.45) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL7575165 0.79 GRIN2D (0.41) ALDH1A1HTTTDP1GRIN2DGRIN3B
SCHEMBL21430771 0.79 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL11350306 0.79 ALDH1A1 (0.62) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL3366325 0.78 MCL1 (0.60) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL3951201 0.78 MCL1 (0.60) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL987696 0.78 MAPT (0.77) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL4879813 0.77 MAPT (0.70) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL10386359 0.77 MCL1 (0.69) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL28459287 0.77 MAPT (0.56) MAPTMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880745-A Preparation method of trolepril 山东亿嘉农化有限公司 2022-01-04 CN claimed
CN-113880745-A Preparation method of trolepril 山东亿嘉农化有限公司 2022-01-04 CN disclosed
CN-113880745-A Preparation method of trolepril 山东亿嘉农化有限公司 2022-01-04 CN disclosed