SCHEMBL30979385

SCHEMBL30979385

CC(=O)N(CC(=O)N(C)C)c1ccc(N/C(=C2\C(=O)Nc3cc(Br)ccc32)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CCNB1 P14635 1/20 0.34
CCR6 P51684 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
TGM2 P21980 1/20 0.33
CYP19A1 P11511 2/20 0.33
ALDH1A1 P00352 2/20 0.33
BACE1 P56817 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
BRD4 O60885 2/20 0.33
MST1R Q04912 1/20 0.32
HPGD P15428 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
CASP3 P42574 2/20 0.31

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
SCHEMBL3157022 0.91 BACE1 (0.37) ALDH1A1BACE1HPGDCASP3FLT3
SCHEMBL3157026 0.91 BACE1 (0.37) ALDH1A1BACE1HPGDCASP3FLT3
SCHEMBL6318832 0.90 IDO1 (0.39) TGM2ALDH1A1LMNAPOLBMST1R
SCHEMBL6318830 0.90 IDO1 (0.39) TGM2ALDH1A1LMNAPOLBMST1R
SCHEMBL23037452 0.89 SENP1 (0.38) ALDH1A1BACE1LMNAPOLB
SCHEMBL30737913 0.89 SENP1 (0.38) ALDH1A1BACE1LMNAPOLB
SCHEMBL2573069 0.89 SENP1 (0.38) ALDH1A1BACE1LMNAPOLB
SCHEMBL2573068 0.89 SENP1 (0.38) ALDH1A1BACE1LMNAPOLB
SCHEMBL4493761 0.89 CCNB2 (0.35) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4493758 0.89 CCNB2 (0.35) CCNB2CDK1HSP90AA1CCNB1CCR6

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
EP-4622986-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS Elima Therapeutics, Inc. (US) 2025-10-01 EP disclosed
WO-2024112705-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS ELIMA THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed