SCHEMBL30811569

SCHEMBL30811569

CCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
VCAM1 P19320 2/20 0.37
KDM4E B2RXH2 1/20 0.36
CA2 P00918 2/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
SERPINE1 P05121 2/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL15137825 0.79 CA2 (0.43) HTTSMN1; SMN2POLBCA2LMNA
SCHEMBL16864230 0.77 ALDH1A1 (0.42) TSHRSMN1; SMN2POLBCA2ALDH1A1
SCHEMBL8910906 0.77 VCAM1 (0.54) HTTL3MBTL1SMN1; SMN2POLBVCAM1
SCHEMBL27345155 0.76 HTT (0.67) HTTTSHRL3MBTL1SMN1; SMN2VCAM1
SCHEMBL30811628 0.76 HTT (0.67) HTTTSHRL3MBTL1SMN1; SMN2VCAM1
SCHEMBL2474059 0.75 HTT (0.48) HTTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL27344877 0.72 SMN1; SMN2 (0.37) HTTTSHRSMN1; SMN2POLBVCAM1
SCHEMBL14433751 0.70 ALDH1A1 (0.47) HTTTSHRL3MBTL1POLBKDM4E
SCHEMBL15807718 0.69 ALDH1A1 (0.39) HTTTSHRL3MBTL1SMN1; SMN2POLB
SCHEMBL424432 0.67 ALDH1A1 (0.48) HTTL3MBTL1SMN1; SMN2POLBVCAM1

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-4543863-A1 FERROPTOSIS INHIBITORS AND USES THEREOF University Of Ottawa (CA) 2025-04-30 EP disclosed
WO-2023245297-A1 FERROPTOSIS INHIBITORS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2023-12-28 WO disclosed