SCHEMBL6949259

SCHEMBL6949259

O=C1Nc2ccc(S(=O)(=O)N3CCC(c4ccccc4)CC3)cc2C1(Cl)Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
STAT3 P40763 1/20 0.49
RAB9A P51151 1/20 0.49
USP5 P45974 8/20 0.47
HDAC6 Q9UBN7 2/20 0.47
TP53 P04637 1/20 0.44
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
HSD11B1 P28845 1/20 0.41

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
SCHEMBL7811627 0.92 TSHR (0.53) GAALMNATSHRMEN1ALDH1A1
SCHEMBL6951287 0.84 GAA (0.58) GAALMNATSHRMEN1ALDH1A1
SCHEMBL7430586 0.83 GAA (0.60) GAALMNAMEN1ALDH1A1HTT
SCHEMBL6951357 0.83 GAA (0.60) GAAMEN1ALDH1A1KMT2ATP53
SCHEMBL6954598 0.81 GAA (0.63) GAAMEN1ALDH1A1KMT2AUSP2
SCHEMBL7077522 0.80 GAA (0.61) GAAMEN1ALDH1A1KMT2AUSP2
SCHEMBL6948048 0.80 ALDH1A1 (0.57) GAAMEN1ALDH1A1KMT2A
SCHEMBL7442190 0.79 GAA (0.55) GAATP53
SCHEMBL6947705 0.78 GAA (0.62) GAALMNATSHRMEN1ALDH1A1
SCHEMBL7079432 0.78 GAA (0.54) GAAMEN1ALDH1A1KMT2ASMN1; SMN2

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 4 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
US-6214858-B1 PREVENTING AND TREATING EXCESSIVE CELL DEATH USING OXINDOLE DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-04-10 US disclosed