SCHEMBL30484114

SCHEMBL30484114

CCOC(=O)C(C#N)c1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.38
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
MAPT P10636 8/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
MMP13 P45452 1/20 0.35
CASP7 P55210 1/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 2/20 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
SCHEMBL25295115 1.00 GAA (0.43) GAASMN1; SMN2MEN1KMT2AGLA
SCHEMBL30468543 0.84 ALDH1A1 (0.47) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1621780 0.84 ALDH1A1 (0.47) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28908950 0.83 ALDH1A1 (0.39) GAASMN1; SMN2MEN1KMT2AGLA
SCHEMBL25302960 0.83 ALDH1A1 (0.34) GAASMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL14457140 0.82 ALDH1A1 (0.38) GAASMN1; SMN2MEN1KMT2AGLA
SCHEMBL17446891 0.81 ALDH1A1 (0.41) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29749257 0.81 MEN1 (0.46) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16552186 0.81 MEN1 (0.46) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL25296472 0.79 KMT2A (0.41) GAASMN1; SMN2MEN1KMT2AALDH1A1

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