SCHEMBL6946099

SCHEMBL6946099

O=C1Nc2ccc(S(=O)(=O)NCCc3cccnc3)cc2C1(Cl)Cl

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.49
PKLR P30613 1/20 0.46
IDO1 P14902 1/20 0.46
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43

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 0.77 MGAT2 (0.60) PKLRPOLB
SCHEMBL10836333 0.76 TBXAS1 (0.71) TBXAS1KDM4E
SCHEMBL27713238 0.74 TDP1 (0.70) TBXAS1GAA
SCHEMBL15823476 0.74 PRMT1 (0.69) TBXAS1KDM4E
Hydrochloric Acid SCHEMBL1238218 0.73 TDP1 (0.68) TBXAS1GAA
SCHEMBL6943633 0.73 ALDH1A1 (0.58) PKLRIDO1GAAKDM4EPOLB
SCHEMBL7812463 0.73 MGAT2 (0.56) PKLRPOLB
SCHEMBL6947428 0.73 PKLR (0.52) PKLRIDO1GAAKDM4EPOLB
SCHEMBL15823527 0.71 CA1 (0.61) TBXAS1
SCHEMBL7670526 0.70 CHRNA7 (0.49) TBXAS1CYP2C19

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