SCHEMBL29976120

SCHEMBL29976120

CCOC(=O)CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 5/20 1.00
▸ HPGD P15428 6/20 0.74
▸ HTT P42858 5/20 0.74
▸ KDM4E B2RXH2 4/20 0.74
▸ ALDH1A1 P00352 4/20 0.74
▸ TP53 P04637 13/20 0.72
▸ SMN1; SMN2 Q16637 7/20 0.72
▸ NPSR1 Q6W5P4 5/20 0.72
▸ S1PR4 O95977 4/20 0.72
▸ LMNA P02545 4/20 0.72
▸ S1PR1 P21453 4/20 0.72
▸ STAT1 P42224 3/20 0.72
▸ KMT2A Q03164 3/20 0.72
▸ HSD17B10 Q99714 3/20 0.72
▸ MAPK1 P28482 2/20 0.72
▸ STAT3 P40763 2/20 0.72
▸ TLR9 Q9NR96 1/20 0.72
▸ MAPT P10636 3/20 0.64
▸ GAA P10253 2/20 0.64
▸ TDP1 Q9NUW8 1/20 0.63

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
SCHEMBL19805710 1.00 SDHB (1.00) SDHBHPGDHTTKDM4EALDH1A1
SCHEMBL1199975 0.86 KDM4E (1.00) SDHBHPGDHTTKDM4EALDH1A1
SCHEMBL19806030 0.85 SDHB (0.86) SDHBHPGDHTTKDM4EALDH1A1
SCHEMBL19805767 0.85 SDHB (0.74) SDHBHPGDHTTKDM4EALDH1A1
SCHEMBL19805808 0.83 SDHB (1.00) SDHBHPGDHTTKDM4EALDH1A1
SCHEMBL19805711 0.79 ALDH1A1 (0.71) SDHBHPGDHTTKDM4EALDH1A1
SCHEMBL29975926 0.78 SDHB (0.64) SDHBHPGDHTTKDM4EALDH1A1
SCHEMBL19806053 0.78 SDHB (0.64) SDHBHPGDHTTKDM4EALDH1A1
SCHEMBL19805786 0.77 SDHB (1.00) SDHBHPGDHTTKDM4EALDH1A1
SCHEMBL21019805 0.76 SDHB (1.00) SDHBHPGDHTTKDM4EALDH1A1

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-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 — — CN disclosed
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