SCHEMBL31499359

SCHEMBL31499359

CC(C)(C)OC(=O)N1C(=O)C(c2ccccc2)c2ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.46
RORC P51449 3/20 0.42
BCHE P06276 1/20 0.40
BACE1 P56817 2/20 0.37
ABCB1 P08183 1/20 0.37
NR1H2 P55055 7/20 0.36
NR1H3 Q13133 5/20 0.36
RXRA P19793 2/20 0.36
CCNB2 O95067 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3B P49841 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
GAA P10253 1/20 0.35
BCL2 P10415 1/20 0.35
BECN1 Q14457 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
ROCK2 O75116 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
SCHEMBL23959044 0.87 CDK1 (0.46) CDK1RORCBCHEBACE1NR1H2
SCHEMBL31499348 0.86 BCHE (0.40) CDK1RORCBCHEABCB1NR1H2
SCHEMBL18025768 0.85 BCHE (0.49) CDK1RORCBCHEBACE1ABCB1
SCHEMBL31499363 0.85 BCHE (0.40) CDK1BCHEABCB1EDNRAROCK2
SCHEMBL31499314 0.80 BCHE (0.41) CDK1RORCBCHEABCB1NR1H2
SCHEMBL31499322 0.80 BCHE (0.39) CDK1RORCBCHEABCB1NR1H2
SCHEMBL31499323 0.79 BCHE (0.40) CDK1BCHEABCB1
SCHEMBL31499325 0.79 BCHE (0.40) CDK1RORCBCHEABCB1NR1H2
SCHEMBL23959057 0.78 CDK1 (0.46) CDK1RORCBCHEBACE1NR1H2
SCHEMBL13536604 0.78 ALDH1A1 (0.40) CDK1BCHEABCB1NR1H2EDNRA

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