SCHEMBL29049264

SCHEMBL29049264

COC(=O)c1c(Br)c(C(=O)OC)c(Br)c(C(=O)OC)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 4/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN1 P18031 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 2/20 0.40
ACHE P22303 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PRKCZ Q05513 1/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL8380519 0.94 CA1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL11134401 0.88 PRKCZ (0.44) CA12CA1CA2CA7CA9
SCHEMBL8509820 0.88 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL5698060 0.86 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL31306912 0.86 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL28828745 0.81 KDM4E (0.49) CA12CA1CA2CA7CA9
SCHEMBL10260335 0.81 CA1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL505263 0.78 TSHR (0.52) CA12CA1CA2CA7CA9
SCHEMBL8337624 0.78 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL9717113 0.78 F2 (0.45) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116554034-B Ligand, covalent organic framework material, COF-ET26/HPAN composite membrane and application thereof 吉林省卓材新研科技有限公司 2023-10-20 CN disclosed
CN-116554034-A Ligand, covalent organic framework material, COF-ET26/HPAN composite membrane and application thereof 吉林省卓材新研科技有限公司 2023-08-08 CN disclosed