SCHEMBL7080677

SCHEMBL7080677

CC1(NS(=O)(=O)c2ccc3c(c2)C(Cl)(Cl)C(=O)N3)CCCO1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKLR P30613 1/20 0.51
IDO1 P14902 2/20 0.42
GAA P10253 2/20 0.42
MGAT2 Q10469 6/20 0.37
TP53 P04637 1/20 0.36
PARG Q86W56 5/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PAX8 Q06710 1/20 0.35
MGAT1 P26572 1/20 0.34
MGAT3 Q09327 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 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
SCHEMBL6954313 0.71 ALDH1A1 (0.60) MEN1KMT2AMAPK1
SCHEMBL6949092 0.69 HTR2C (0.54) PKLRTP53PARGMEN1KMT2A
SCHEMBL30555219 0.69 PKLR (0.55) PKLRIDO1GAAMGAT2TP53
SCHEMBL6954051 0.69 PKLR (0.55) PKLRIDO1GAAMGAT2TP53
SCHEMBL6943633 0.68 ALDH1A1 (0.58) PKLRIDO1GAATP53MEN1
SCHEMBL2582634 0.68 PKLR (1.00) PKLRGAATP53POLB
SCHEMBL6954598 0.67 GAA (0.63) GAAMEN1POLBKMT2A
SCHEMBL6947705 0.67 GAA (0.62) GAAMEN1POLBKMT2A
SCHEMBL6951305 0.67 MGAT2 (0.60) PKLRMGAT2TP53POLB
SCHEMBL6950254 0.67 PKLR (0.50) PKLRIDO1GAAMGAT2PARG

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
EP-0988035-B1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP claimed