SCHEMBL30484131

SCHEMBL30484131

CCOC(=O)C(C#N)c1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 5/20 0.40
ALDH1A1 P00352 9/20 0.40
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BCL2 P10415 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL25300687 1.00 KMT2A (0.42) KMT2AMEN1GAASMN1; SMN2MAPT
SCHEMBL25296472 0.91 KMT2A (0.41) KMT2AMEN1GAASMN1; SMN2MAPT
SCHEMBL4573533 0.85 MAPT (0.49) KMT2AMEN1GAASMN1; SMN2MAPT
SCHEMBL25450873 0.84 ALDH1A1 (0.50) KMT2AMEN1GAASMN1; SMN2MAPT
SCHEMBL17051112 0.84 SMN1; SMN2 (0.39) KMT2AMEN1GAASMN1; SMN2MAPT
SCHEMBL6646756 0.83 KMT2A (0.47) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL7677183 0.83 ALDH1A1 (0.56) KMT2AMEN1GAASMN1; SMN2MAPT
SCHEMBL31198114 0.82 CYP1A2 (0.43) KMT2AMEN1GAASMN1; SMN2MAPT
SCHEMBL31198088 0.82 CYP1A2 (0.43) KMT2AMEN1GAASMN1; SMN2MAPT
SCHEMBL7028236 0.82 MAPT (0.39) KMT2AMEN1GAASMN1; SMN2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4457230-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BeiGene Switzerland GmbH (CH) 2024-11-06 EP disclosed
CN-118414336-A Degradation of Bruton Tyrosine Kinase (BTK) by conjugation of BTK inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2024-07-30 CN disclosed
WO-2023125907-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 WO disclosed