SCHEMBL30349385

SCHEMBL30349385

Cc1ccc(S(=O)(=O)n2cc(C(C)C)c3nc(Cc4c(C)cc(O)c(C)c4C)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.38
LMNA P02545 5/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HTR6 P50406 5/20 0.36
KDM1A O60341 1/20 0.33
CYP19A1 P11511 1/20 0.33
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
KLK7 P49862 1/20 0.32
KDM4E B2RXH2 1/20 0.31
UBE2N P61088 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PPARG P37231 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
SCHEMBL26919915 1.00 ALK (0.38) ALKLMNAALDH1A1GAAHTR6
SCHEMBL22632905 0.90 ALK (0.40) ALKLMNAALDH1A1GAAHTR6
SCHEMBL22632544 0.86 ALK (0.36) ALKLMNAALDH1A1GAAHTR6
SCHEMBL22632661 0.85 ALK (0.36) ALKLMNAALDH1A1GAAHTR6
SCHEMBL30349522 0.84 HTR6 (0.35) ALKHTR6CYP19A1PPARG
SCHEMBL31405774 0.83 HTR6 (0.36) ALKLMNAALDH1A1HTR6KDM1A
SCHEMBL22638215 0.83 ALK (0.34) ALKLMNAHTR6KDM1ACYP19A1
SCHEMBL30711130 0.82 CD4 (0.37) ALKLMNAALDH1A1HTR6CYP19A1
SCHEMBL30349752 0.82 ALK (0.34) ALKLMNAGAAHTR6KDM1A
SCHEMBL30349581 0.82 HTR6 (0.31) ALKHTR6

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
EP-4178672-A1 MODULATORS OF THR-ß AND METHODS OF USE THEREOF Aligos Therapeutics, Inc. (US) 2023-05-17 EP claimed
EP-4178672-A1 MODULATORS OF THR-ß AND METHODS OF USE THEREOF Aligos Therapeutics, Inc. (US) 2023-05-17 EP disclosed