SCHEMBL31499320

SCHEMBL31499320

CC(C)(C)OC(=O)N1C(=O)C(c2ccc(F)cc2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.45
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTR7 P34969 2/20 0.38
CDK1 P06493 1/20 0.37
KDM1A O60341 1/20 0.37
RORC P51449 3/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GSK3B P49841 1/20 0.35
KCNH2 Q12809 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL18025768 0.90 BCHE (0.49) BCHECDK1KDM1ARORC
SCHEMBL31499335 0.87 BCHE (0.42) BCHEKMT2AHTR7CDK1KDM1A
SCHEMBL31499333 0.87 BCHE (0.44) BCHECDK1KDM1AALDH1A1GSK3B
SCHEMBL31499348 0.86 BCHE (0.40) BCHEMEN1KMT2AHTR7CDK1
SCHEMBL31499325 0.86 BCHE (0.40) BCHEMEN1KMT2AHTR7CDK1
SCHEMBL31499339 0.83 MEN1 (0.45) BCHEMEN1KMT2ACDK1KDM1A
SCHEMBL23959036 0.82 BCHE (0.49) BCHEMEN1KMT2ACDK1KDM1A
SCHEMBL23959084 0.81 BCHE (0.46) BCHECDK1KDM1AALDH1A1
SCHEMBL23959420 0.80 BCHE (0.40) BCHEMEN1KMT2AHTR7CDK1
SCHEMBL23959076 0.80 BCHE (0.40) BCHEMEN1KMT2AHTR7CDK1

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