SCHEMBL29253308

SCHEMBL29253308

N#CC(=NOCC(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALOX15 P16050 2/20 0.39
PKM P14618 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TBXA2R P21731 1/20 0.36
TBXAS1 P24557 1/20 0.36
PTPN7 P35236 1/20 0.36
FFAR1 O14842 1/20 0.36
HPGD P15428 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
ALPG P10696 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL29253288 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL16791898 0.82 SMN1; SMN2 (0.42) ALDH1A1KDM4EALOX15PKML3MBTL1
SCHEMBL18171383 0.82 SMN1; SMN2 (0.42) ALDH1A1KDM4EALOX15PKML3MBTL1
SCHEMBL31281812 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EALOX15PKML3MBTL1
SCHEMBL11210429 0.74 PKM (0.44) ALDH1A1KDM4EALOX15PKML3MBTL1
SCHEMBL10934047 0.74 PKM (0.44) ALDH1A1KDM4EALOX15PKML3MBTL1
SCHEMBL11062503 0.73 PKM (0.43) ALDH1A1KDM4EALOX15PKML3MBTL1
SCHEMBL18652972 0.73 PKM (0.43) ALDH1A1KDM4EALOX15PKML3MBTL1
SCHEMBL20682473 0.72 KMT2A (0.42) ALDH1A1KDM4EALOX15PKML3MBTL1
SCHEMBL29253305 0.71 KMT2A (0.37) ALDH1A1KDM4EALOX15PKML3MBTL1

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-116693417-A Synthesis method of oxime compound 华中科技大学 2023-09-05 CN disclosed