SCHEMBL29130073

SCHEMBL29130073

COC(=O)c1cc(Br)cc(OC(F)C(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.51
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KDM4E B2RXH2 4/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
POLB P06746 2/20 0.39
XDH P47989 1/20 0.39
GFER P55789 1/20 0.39
FUT7 Q11130 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 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
SCHEMBL29672158 0.88 NOTUM (0.54) NOTUMCA1CA2CA12CA7
SCHEMBL20944192 0.88 NOTUM (0.54) NOTUMCA1CA2CA12CA7
SCHEMBL1869827 0.83 NOTUM (0.51) NOTUMCA1CA2CA12CA7
SCHEMBL28987542 0.82 NOTUM (0.56) NOTUMCA1CA2CA12CA7
SCHEMBL1188442 0.79 NOTUM (0.57) NOTUMCA1CA2CA12CA7
SCHEMBL29130080 0.78 CA1 (0.37) NOTUMCA1CA2CA12CA7
SCHEMBL24017285 0.78 NOTUM (0.57) NOTUMCA1CA2CA12CA7
SCHEMBL21609833 0.78 NOTUM (0.50) NOTUMCA1CA2CA12CA7
SCHEMBL31401414 0.76 NOTUM (0.64) NOTUMCA1CA2CA12CA7
SCHEMBL1868624 0.76 NOTUM (0.64) NOTUMCA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117295736-A Benzo [ C ] [2,6] naphthyridine derivatives, compositions thereof and therapeutic uses thereof 剑桥实业有限公司 2023-12-26 CN disclosed