SCHEMBL29253288

SCHEMBL29253288

CCOC(=O)CON=C(C#N)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
HSD11B1 P28845 1/20 0.41
SQOR Q9Y6N5 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NLRP3 Q96P20 1/20 0.40
KDM4E B2RXH2 3/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL29253308 0.84 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GAAHPGDMAPK8
SCHEMBL10899774 0.76 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2LMNAHPGDSQOR
SCHEMBL16791898 0.76 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2GAALMNAHPGD
SCHEMBL18171383 0.76 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2GAALMNAHPGD
SCHEMBL31281812 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GAALMNAHPGD
SCHEMBL11708925 0.72 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2GAALMNAHPGD
SCHEMBL20682473 0.72 KMT2A (0.42) ALDH1A1SMN1; SMN2GAALMNAHPGD
SCHEMBL18652972 0.70 PKM (0.43) ALDH1A1SMN1; SMN2GAALMNAHPGD
SCHEMBL10488009 0.69 GAA (0.50) ALDH1A1SMN1; SMN2GAAHSD11B1NPSR1
SCHEMBL13901447 0.69 PPID (0.55) ALDH1A1SMN1; SMN2GAALMNAHPGD

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 claimed