SCHEMBL29074454

SCHEMBL29074454

COc1ccccc1N1CCN(CC(O)COc2cc(O)cc(O)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.71
ALDH1A1 P00352 4/20 0.71
KCNH2 Q12809 2/20 0.69
CACNA1G O43497 1/20 0.69
LMNA P02545 7/20 0.68
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
KDM4E B2RXH2 3/20 0.67
MAPK1 P28482 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
TP53 P04637 2/20 0.67
HIF1A Q16665 2/20 0.67
NR1I2 O75469 1/20 0.67
NR3C1 P04150 1/20 0.67
ADRB1 P08588 1/20 0.67
HTR1A P08908 1/20 0.67
ADRA2A P08913 1/20 0.67
DRD2 P14416 1/20 0.67
ADRA2B P18089 1/20 0.67
ADRA2C P18825 1/20 0.67

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
SCHEMBL7711429 0.89 MAPT (0.76) MAPTALDH1A1KCNH2CACNA1GLMNA
Enciprazine SCHEMBL584730 0.89 MAPT (0.74) MAPTALDH1A1KCNH2CACNA1GLMNA
Enciprazine SCHEMBL29710915 0.89 MAPT (0.74) MAPTALDH1A1KCNH2CACNA1GLMNA
SCHEMBL17313697 0.89 KCNH2 (0.78) MAPTALDH1A1KCNH2CACNA1GLMNA
Hydrochloric Acid SCHEMBL7708501 0.88 MAPT (0.75) MAPTALDH1A1KCNH2CACNA1GLMNA
Enciprazine SCHEMBL668369 0.88 MAPT (0.76) MAPTALDH1A1KCNH2CACNA1GLMNA
Enciprazine SCHEMBL10569674 0.88 MAPT (0.76) MAPTALDH1A1KCNH2CACNA1GLMNA
Enciprazine SCHEMBL1649926 0.87 MAPT (0.71) MAPTALDH1A1KCNH2CACNA1GLMNA
SCHEMBL17313690 0.86 MAPT (0.74) MAPTALDH1A1KCNH2CACNA1GLMNA
SCHEMBL11817687 0.85 CACNA1G (0.80) MAPTALDH1A1KCNH2CACNA1GLMNA

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-113712967-B Application of compound in preparation of anti-aflatoxin B1 toxicity drugs 华中农业大学 2023-09-22 CN claimed
CN-113712967-B Application of compound in preparation of anti-aflatoxin B1 toxicity drugs 华中农业大学 2023-09-22 CN disclosed