SCHEMBL29528630

SCHEMBL29528630

COC(=O)c1cc(Br)cc(I)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.57
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA12 O43570 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
KDM4E B2RXH2 4/20 0.47
LMNA P02545 2/20 0.47
XDH P47989 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
NFKB1 P19838 1/20 0.47
GFER P55789 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
FUT7 Q11130 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.44

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
SCHEMBL232476 1.00 NOTUM (0.57) NOTUMCA1CA2CA12CA7
Methyl Alcohol SCHEMBL3662103 0.98 NOTUM (0.56) NOTUMCA1CA2CA12CA7
SCHEMBL184614 0.86 NOTUM (0.67) NOTUMCA1CA2CA12CA7
SCHEMBL475680 0.86 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL231885 0.86 CA1 (0.58) NOTUMCA1CA2CA12CA7
Methyl 3,5-Dibromobenzoate SCHEMBL2408987 0.86 NOTUM (0.67) NOTUMCA1CA2CA12CA7
SCHEMBL671606 0.81 CA12 (0.55) CA1CA2CA12CA7CA9
SCHEMBL3718476 0.81 NOTUM (0.41) NOTUMCA1CA2CA12CA7
SCHEMBL29528584 0.80 NOTUM (0.41) NOTUMCA1CA2CA12CA9
SCHEMBL3498781 0.80 NOTUM (0.41) NOTUMCA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4615834-A1 INHIBITORS OF CYCLIC ADP RIBOSE HYDROLASE METHODS OF USE THEREOF Flagship Pioneering Innovations VI, LLC (US) 2025-09-17 EP disclosed
EP-4615825-A1 INHIBITORS OF CYCLIC ADP RIBOSE HYDROLASE METHODS OF USE THEREOF Flagship Pioneering Innovations VI, LLC (US) 2025-09-17 EP disclosed
WO-2024102922-A1 INHIBITORS OF CYCLIC ADP RIBOSE HYDROLASE METHODS OF USE THEREOF FLAGSHIP PIONEERING INNOVATIONS, VI, LLC (US) 2024-05-16 WO disclosed
WO-2024102927-A1 INHIBITORS OF CYCLIC ADP RIBOSE HYDROLASE METHODS OF USE THEREOF FLAGSHIP PIONEERING INNOVATIONS, VI, LLC (US) 2024-05-16 WO disclosed
WO-2022129047-A2 NOVEL MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 WO disclosed
EP-3946363-A2 GLUCOSE SENSITIVE INSULIN DERIVATIVES Novo Nordisk A/S (DK) 2022-02-09 EP disclosed