SCHEMBL7812463

SCHEMBL7812463

O=C1Nc2ccc(S(=O)(=O)Cl)cc2C1(Cl)Cl.O=C1Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2C1(Cl)Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 1/20 0.56
LMNA P02545 1/20 0.51
SLC12A2 P55011 1/20 0.51
SLC12A5 Q9H2X9 1/20 0.51
PKLR P30613 1/20 0.49
PKM P14618 3/20 0.48
KEAP1 Q14145 1/20 0.48
POLB P06746 2/20 0.46
ALDH1A1 P00352 3/20 0.46
VCAM1 P19320 1/20 0.46
TP53 P04637 1/20 0.46
CA12 O43570 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ATM Q13315 1/20 0.46
CA9 Q16790 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.45
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6951305 0.95 MGAT2 (0.60) MGAT2LMNASLC12A2SLC12A5PKLR
SCHEMBL6954051 0.82 PKLR (0.55) MGAT2PKLRPOLBALDH1A1TP53
SCHEMBL30555219 0.82 PKLR (0.55) MGAT2PKLRPOLBALDH1A1TP53
SCHEMBL7354552 0.78 KEAP1 (0.69) LMNASLC12A2SLC12A5PKMKEAP1
SCHEMBL6950845 0.76 ALDH1A1 (0.57) PKLRPKMPOLBALDH1A1L3MBTL1
SCHEMBL6949092 0.75 HTR2C (0.54) LMNAPKLRALDH1A1TP53CA9
SCHEMBL6948216 0.75 ALDH1A1 (0.58) MGAT2PKLRPOLBALDH1A1CYP1A2
SCHEMBL6954621 0.74 MEN1 (0.64) LMNASLC12A2SLC12A5PKMPOLB
SCHEMBL1092244 0.74 MGAT2 (0.65) MGAT2LMNASLC12A2SLC12A5PKM
SCHEMBL6946099 0.73 TBXAS1 (0.49) PKLRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988035-A4 CASPASES AND APOPTOSIS SMITHKLINE BECKMAN CORP (US) 2001-09-19 EP 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