SCHEMBL29131830

SCHEMBL29131830

C=C(C)C(=O)N(C)c1ccc([N+](=O)[O-])cc1I

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.38
GAA P10253 2/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL31042822 0.81 VCAM1 (0.50) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL28498687 0.79 FSCN1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL28492096 0.78 HTT (0.33) HTTMAPT
SCHEMBL28490898 0.78 FSCN1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL28501470 0.78 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL28497420 0.75 MAPT (0.41) ALDH1A1HTTLMNAL3MBTL1MAPK1
SCHEMBL1026260 0.74 ALDH1A1 (0.48) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL1026262 0.74 ALDH1A1 (0.48) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL28499201 0.74 GAA (0.35) ALDH1A1TP53GAASMN1; SMN2
SCHEMBL28499158 0.73 GAA (0.36) ALDH1A1TP53MAPTGAATSHR

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-116969875-A Synthesis method of thioester functionalized 2-oxoindole 南通大学 2023-10-31 CN claimed
CN-116969875-A Synthesis method of thioester functionalized 2-oxoindole 南通大学 2023-10-31 CN disclosed