SCHEMBL29555331

SCHEMBL29555331

N#Cc1c(F)cccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TLR8 Q9NR97 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
DYRK1A Q13627 1/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CUL4A Q13619 1/20 0.35
BCAT1 P54687 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
MAPT P10636 3/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
L3MBTL1 Q9Y468 1/20 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
SCHEMBL185690 1.00 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10TLR8
SCHEMBL14861620 0.84 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10TAS1R3
SCHEMBL1343169 0.83 DYRK1A (0.42) KDM4EALDH1A1HPGDHSD17B10TLR8
SCHEMBL186269 0.83 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10TRPV4
SCHEMBL2652911 0.82 ADORA1 (0.39) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL22904097 0.82 LMNA (0.48) KDM4EALDH1A1HPGDHSD17B10TLR8
SCHEMBL6695099 0.81 ADORA1 (0.38) KDM4EALDH1A1HPGDHSD17B10DYRK1A
SCHEMBL25953713 0.79 TRPV4 (0.38) KDM4EALDH1A1HPGDHSD17B10TRPV4
Cyanide SCHEMBL28871133 0.78 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10TRPV4
SCHEMBL18190631 0.77 CA1 (0.39) KDM4EALDH1A1HPGDLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747260-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
CN-122011088-A Cyclic peptide compound and preparation method and application thereof 甫康生物科技(上海)股份有限公司 2026-05-12 CN disclosed
WO-2025235363-A1 CYCLIN-DEPENDENT KINASE 4 DEGRADERS BLUEPRINT MEDICINES CORPORATION (US) 2025-11-13 WO disclosed
WO-2025106482-A1 COMPOUNDS AND COMPOSITIONS AS SMARCA2/4 DEGRADERS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. D/B/A SK LIFE SCIENCE LABS (US) 2025-05-22 WO disclosed
WO-2025021666-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-30 WO disclosed
WO-2024064316-A1 COMPOUNDS AND COMPOSITIONS AS SMARCA2/4 INHIBITORS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-03-28 WO disclosed
EP-4217353-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS Ermium Therapeutics (FR) 2023-08-02 EP disclosed
EP-4065583-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION Taiho Pharmaceutical Co., Ltd. (JP) 2022-10-05 EP disclosed
WO-2022064075-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2022-03-31 WO disclosed