SCHEMBL6948048

SCHEMBL6948048

O=C1Nc2ccc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)cc2C1(Cl)Cl

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 5/20 0.54
MBTD1 Q05BQ5 2/20 0.54
L3MBTL3 Q96JM7 2/20 0.54
GAA P10253 4/20 0.53
HPGD P15428 1/20 0.52
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
PKM P14618 1/20 0.51
HSD17B10 Q99714 1/20 0.48
CASP3 P42574 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL7077522 0.88 GAA (0.61) ALDH1A1KDM4EGAACASP3MEN1
SCHEMBL6954598 0.87 GAA (0.63) ALDH1A1KDM4EGAACASP3MEN1
SCHEMBL6951357 0.83 GAA (0.60) ALDH1A1GAAHSD17B10CASP3MEN1
SCHEMBL7430586 0.83 GAA (0.60) ALDH1A1KDM4EGAAHPGDCYP2C19
SCHEMBL6949259 0.80 GAA (0.53) ALDH1A1GAAMEN1KMT2A
SCHEMBL7442190 0.79 GAA (0.55) GAACASP3
SCHEMBL7079432 0.78 GAA (0.54) ALDH1A1GAAHPGDCASP3MEN1
SCHEMBL6947705 0.78 GAA (0.62) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL6951287 0.78 GAA (0.58) ALDH1A1GAAHSD17B10MEN1KMT2A
SCHEMBL8307191 0.77 GAA (0.61) ALDH1A1KDM4EGAAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988035-B1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP claimed
US-6214858-B1 PREVENTING AND TREATING EXCESSIVE CELL DEATH USING OXINDOLE DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-04-10 US claimed
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