SCHEMBL6954051

SCHEMBL6954051

O=C1Nc2ccc(S(=O)(=O)Cl)cc2C1(Cl)Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKLR P30613 1/20 0.55
GAA P10253 1/20 0.46
IDO1 P14902 3/20 0.41
PGR P06401 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MGAT2 Q10469 3/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL30555219 1.00 PKLR (0.55) PKLRGAAIDO1PGRCA12
SCHEMBL9333808 0.83 IDO1 (0.54) PKLRIDO1PGRTP53PDE3B
SCHEMBL7812463 0.82 MGAT2 (0.56) PKLRCA12CA9TP53ALDH1A1
SCHEMBL20269808 0.79 PGR (0.53) PGRPDE3BPDE3A
SCHEMBL16849933 0.79 PGR (0.53) PGRPDE3BPDE3A
SCHEMBL8307129 0.77 PKLR (0.50) PKLRGAAALDH1A1KDM4EMAPT
SCHEMBL6954598 0.77 GAA (0.63) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL7077522 0.76 GAA (0.61) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL6951305 0.74 MGAT2 (0.60) PKLRCA12CA9TP53ALDH1A1
SCHEMBL6947705 0.74 GAA (0.62) GAAALDH1A1HSD17B10KDM4EMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655518-A Isatin derivative and preparation method and application thereof 东南大学 2023-08-29 CN claimed
EP-0988035-B1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP claimed
EP-0988035-A4 CASPASES AND APOPTOSIS SMITHKLINE BECKMAN CORP (US) 2001-09-19 EP claimed
US-6214858-B1 PREVENTING AND TREATING EXCESSIVE CELL DEATH USING OXINDOLE DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-04-10 US claimed
EP-0988035-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-29 EP claimed
WO-1999006042-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 WO claimed
CN-116655518-A Isatin derivative and preparation method and application thereof 东南大学 2023-08-29 CN disclosed
EP-0988035-B1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
EP-0988035-A4 CASPASES AND APOPTOSIS SMITHKLINE BECKMAN CORP (US) 2001-09-19 EP disclosed
US-6214858-B1 PREVENTING AND TREATING EXCESSIVE CELL DEATH USING OXINDOLE DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-04-10 US disclosed
EP-0988035-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-29 EP disclosed
WO-1999006042-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 WO disclosed