SCHEMBL28624207

SCHEMBL28624207

O=S(=O)(ONc1ccccc1)c1cccc2c(-c3cccc4c(S(=O)(=O)ONc5ccccc5)cccc34)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 1/20 0.42
SNCA P37840 1/20 0.42
PGR P06401 1/20 0.36
MEN1 O00255 5/20 0.36
MAPT P10636 5/20 0.36
KMT2A Q03164 5/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MITF O75030 2/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPC1 O15118 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8960993 0.95 CHAT (0.39) CHATSNCAPGRMEN1MAPT
SCHEMBL9139273 0.87 PGR (0.49) PGRMEN1KMT2AALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL28968464 0.85 PGR (0.48) PGRMEN1KMT2AALDH1A1HPGD
SCHEMBL19861020 0.76 CA2 (0.34) PGRMEN1MAPTKMT2ALMNA
SCHEMBL7783919 0.76 POLB (0.47) MEN1MAPTKMT2ALMNAALDH1A1
SCHEMBL22187497 0.72 KEAP1 (0.48) PGRMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL11628679 0.71 KMT2A (0.54) MEN1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL10579140 0.70 CA2 (0.41) PGRMEN1MAPTKMT2ALMNA
SCHEMBL28753722 0.70 KEAP1 (0.49) PGRMEN1MAPTKMT2ALMNA
SCHEMBL9543035 0.69 CA2 (0.44) PGRMEN1KMT2ALMNASMN1; SMN2

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-113227057-A Compounds and their use for the treatment of alpha 1-antitrypsin deficiency Z 因子有限公司 2021-08-06 CN disclosed