SCHEMBL31499323

SCHEMBL31499323

CC(C)(C)OC(=O)N1C(=O)C(c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
ABCB1 P08183 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 5/20 0.37
MDM2 Q00987 4/20 0.37
ATM Q13315 1/20 0.36
CCKBR P32239 2/20 0.36
CDK1 P06493 1/20 0.36
MAPT P10636 2/20 0.35
FDFT1 P37268 1/20 0.35
HTR2B P41595 1/20 0.35
PDE4D Q08499 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
SCHEMBL23959005 0.87 BCHE (0.40) BCHEMEN1KMT2ACDK1MAPT
SCHEMBL31499314 0.87 BCHE (0.41) BCHEABCB1MEN1KMT2ACCKBR
SCHEMBL31499325 0.86 BCHE (0.40) BCHEABCB1MEN1KMT2ACDK1
SCHEMBL18025768 0.85 BCHE (0.49) BCHEABCB1CCKBRCDK1
SCHEMBL13536604 0.85 ALDH1A1 (0.40) BCHEABCB1CDK1
SCHEMBL31499354 0.85 ALDH1A1 (0.40) BCHEABCB1CDK1
SCHEMBL31499344 0.84 BCHE (0.37) BCHEABCB1CDK1
SCHEMBL23959072 0.80 BCHE (0.41) BCHEMEN1KMT2AMDM2CCKBR
SCHEMBL31499348 0.79 BCHE (0.40) BCHEABCB1MEN1KMT2ACDK1
SCHEMBL31499359 0.79 CDK1 (0.46) BCHEABCB1CDK1

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