SCHEMBL29414723

SCHEMBL29414723

Cc1ccc(S(=O)(=O)n2cc(C(C)C)c3nc(Cc4c(C)cc(-n5ncc(=O)n(COCc6ccccc6)c5=O)cc4C)cnc32)cc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD4 P01730 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL22632693 1.00 CD4 (0.31) CD4ALDH1A1SMN1; SMN2
SCHEMBL28686236 0.91
SCHEMBL38661434 0.90
SCHEMBL31258414 0.84 CD4 (0.42) CD4ALDH1A1SMN1; SMN2
SCHEMBL22632786 0.84 CD4 (0.42) CD4ALDH1A1SMN1; SMN2
SCHEMBL22633271 0.78 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL22632665 0.77 ALK (0.35) ALDH1A1
SCHEMBL22632891 0.76 L3MBTL1 (0.34) ALDH1A1
SCHEMBL22632642 0.76 PTGS2 (0.32) SMN1; SMN2
SCHEMBL29414678 0.76 PTGS2 (0.32) SMN1; SMN2

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
EP-3965884-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF Aligos Therapeutics, Inc. (US) 2022-03-16 EP disclosed