SCHEMBL28617029

SCHEMBL28617029

CC(Oc1ccc(Br)cc1)Oc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.62
CA9 Q16790 11/20 0.56
CA12 O43570 9/20 0.56
CA1 P00915 10/20 0.55
CA7 P43166 7/20 0.55
ALDH1A1 P00352 3/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 1/20 0.45
SOS1 Q07889 2/20 0.44
PTGS2 P35354 2/20 0.44
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
CA14 Q9ULX7 1/20 0.43
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL8431691 0.81 LDHA (0.50) CA2CA9CA1ALDH1A1TSHR
SCHEMBL189284 0.80 ALDH1A1 (0.59) CA2CA9CA12CA1CA7
SCHEMBL22080317 0.80 HTT (0.79) CA2CA9CA12CA1CA7
SCHEMBL183959 0.79 CA2 (1.00) CA2CA9CA12CA1CA7
Hydrochloric Acid SCHEMBL3536600 0.77 CA2 (0.95) CA2CA9CA12CA1CA7
SCHEMBL13607576 0.77 ALDH1A1 (0.55) CA2CA9CA12CA1CA7
SCHEMBL28617028 0.75 CA2 (0.73) CA2CA9CA12CA1CA7
SCHEMBL4160269 0.74 LDHA (0.41) CA2CA9CA1ALDH1A1TSHR
SCHEMBL21556105 0.74 CA2 (0.58) CA2CA9CA12CA1CA7
SCHEMBL21556165 0.74 CA2 (0.58) CA2CA9CA12CA1CA7

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-113423691-A Peptide binding agents 赛诺菲 2021-09-21 CN disclosed
CN-113395982-A Insulin conjugates 赛诺菲 2021-09-14 CN disclosed