SCHEMBL30346189

SCHEMBL30346189

CN(C(=O)OC(C)(C)C)c1ccccc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.40
BRD4 O60885 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
BCHE P06276 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL24190075 1.00 PAX8 (0.40) PAX8BRD4MEN1KMT2ALMNA
SCHEMBL21084775 0.85 PAX8 (0.46) PAX8BRD4MEN1KMT2ALMNA
SCHEMBL2968877 0.83 LMNA (0.35) PAX8MEN1KMT2ALMNATHRB
SCHEMBL6696043 0.82 TSHR (0.41) MEN1KMT2ALMNATHRBBLM
SCHEMBL29956095 0.79 PAX8 (0.40) PAX8BRD4MEN1KMT2AALDH1A1
SCHEMBL12117478 0.79 LIPE (0.43) PAX8BRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL7183179 0.78 CTDSP1 (0.41) MEN1KMT2ALMNATHRBBLM
SCHEMBL6317211 0.78 MEN1 (0.41) PAX8BRD4MEN1KMT2AALDH1A1
SCHEMBL29837226 0.78 PAX8 (0.41) PAX8BRD4MEN1KMT2ALMNA
SCHEMBL13311040 0.78 PAX8 (0.41) PAX8BRD4MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118891261-A Covalent EGFR inhibitors and methods of use thereof 丹娜-法伯癌症研究院 2024-11-01 CN disclosed
EP-4419529-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2024-08-28 EP disclosed
CN-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 CN disclosed
WO-2023069959-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-04-27 WO disclosed
EP-4165037-A1 ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS Aligos Therapeutics, Inc. (US) 2023-04-19 EP disclosed