SCHEMBL29397449

SCHEMBL29397449

COC(=O)c1cc(Br)cc2[nH]cnc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
PARP1 P09874 1/20 0.39
OPRK1 P41145 1/20 0.37
CD38 P28907 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PRNP P04156 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AXL P30530 1/20 0.36
MAP2K1 Q02750 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
SCHEMBL22470597 1.00 NR4A2 (0.44) NR4A2PARP1OPRK1CD38MEN1
SCHEMBL22443320 0.82 NR4A2 (0.44) NR4A2PARP1ALDH1A1MAPTHPGD
SCHEMBL15808776 0.82 PARP1 (0.42) PARP1CD38ALDH1A1MAPTHPGD
SCHEMBL31363646 0.82 PARP1 (0.39) NR4A2PARP1CD38AXLMAP2K1
SCHEMBL18225293 0.82 NR4A2 (0.48) NR4A2
SCHEMBL5156191 0.81 DHODH (0.47) PARP1MEN1ALDH1A1PRNPMAPT
SCHEMBL12999419 0.77 CYP3A4 (0.46) OPRK1MEN1ALDH1A1MAPTHTT
SCHEMBL25395312 0.76 NR4A2 (0.41) NR4A2OPRK1ALDH1A1HTTMAP2K1
SCHEMBL30618047 0.76 NR4A2 (0.41) NR4A2OPRK1ALDH1A1MAPT
SCHEMBL30591117 0.76 NR4A2 (0.41) NR4A2OPRK1ALDH1A1HTTMAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116669744-A Nrf2 activating compounds 千寿制药株式会社 2023-08-29 CN disclosed
WO-2023151640-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 WO disclosed
WO-2022145459-A1 NRF2-ACTIVATING COMPOUND 千寿製薬株式会社 2022-07-07 WO disclosed
CN-114080389-A Nrf2 activating compound 千寿制药株式会社 2022-02-22 CN disclosed