SCHEMBL31499341

SCHEMBL31499341

O=C(O)N1C(=O)C(c2ccc3ccccc3c2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
SCN9A Q15858 1/20 0.37
BCHE P06276 3/20 0.36
STING1 Q86WV6 1/20 0.36
GSK3B P49841 2/20 0.36
ADK P55263 2/20 0.36
KDM4E B2RXH2 1/20 0.35
SLC6A2 P23975 2/20 0.34
MMP13 P45452 1/20 0.34
ACHE P22303 1/20 0.34
SLC6A3 Q01959 2/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A4 P31645 1/20 0.34
EGFR P00533 1/20 0.33

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
SCHEMBL31499339 0.81 MEN1 (0.45) ESR1ESR2SCN9ABCHEKDM1A
SCHEMBL17583721 0.79 ESR1 (0.39) ESR1ESR2SCN9ABCHESTING1
SCHEMBL17583578 0.78 SCN9A (0.44) ESR1ESR2SCN9AGSK3BADK
SCHEMBL31499361 0.75 BCHE (0.31) BCHE
SCHEMBL22416385 0.68 SCN9A (0.37) SCN9AGSK3BADKKDM4EACHE
SCHEMBL28698842 0.67 CDC25A (0.41) KDM4EEGFR
SCHEMBL28357769 0.66 AADAT (0.36) KDM4EEGFR
SCHEMBL31499333 0.64 BCHE (0.44) BCHESTING1GSK3BACHEKDM1A
SCHEMBL18025750 0.64 PDE4A (0.51) GSK3BKDM4ESLC6A2MMP13SLC6A3
SCHEMBL13617411 0.63 MAPT (0.57) GSK3BKDM4EHTR2BCYP3A4

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-119954707-A Chiral 3, 3-disubstituted indolone compound and preparation method and application thereof 云南大学 2025-05-09 CN disclosed