SCHEMBL28978490

SCHEMBL28978490

COc1[c]c(Br)cc(F)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL747022 0.84 ALDH1A1 (0.32)
SCHEMBL261996 0.77 NQO2 (0.31)
SCHEMBL491265 0.77 HSD17B10 (0.34) CA2CA4
SCHEMBL491242 0.76 ALDH1A1 (0.43) CA2CA4
SCHEMBL817524 0.75
SCHEMBL2347540 0.74
SCHEMBL19208031 0.74 TDP1 (0.33)
SCHEMBL1638424 0.71 TUBB4A (0.32)
SCHEMBL491456 0.71 HDAC4 (0.31)
SCHEMBL1401617 0.70

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-115916748-A Indole derivatives as alpha-1 antitrypsin modulators for the treatment of alpha-1 antitrypsin deficiency (AATD) 弗特克斯药品有限公司 2023-04-04 CN disclosed