SCHEMBL725665

SCHEMBL725665

CCCCCc1nc(C(=O)S(=O)(=O)c2ccccc2CCCCC)c(S(=O)(=O)c2ccccc2)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.35
PARP1 P09874 1/20 0.35
GPR84 Q9NQS5 4/20 0.34
ABCB1 P08183 1/20 0.34
BID P55957 2/20 0.33
BCL2L1 Q07817 2/20 0.33
MCL1 Q07820 2/20 0.33
BAK1 Q16611 2/20 0.33

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
SCHEMBL12468314 0.73 PARP1 (0.42) PARP1GPR84ABCB1
SCHEMBL792961 0.69 HTR6 (0.35) BIDBCL2L1MCL1BAK1
SCHEMBL10181242 0.69 MMP2 (0.46) PTGDR2
SCHEMBL11143339 0.66 LIPG (0.50) BIDBCL2L1MCL1BAK1
SCHEMBL16111391 0.66 TDP1 (0.40) GPR84ABCB1BIDBCL2L1MCL1
SCHEMBL11137516 0.66 LIPG (0.51) BIDBCL2L1MCL1BAK1
SCHEMBL8520962 0.66 LIPG (0.53) BIDBCL2L1MCL1BAK1
SCHEMBL28050271 0.66 LIPG (0.50) BIDBCL2L1MCL1BAK1
SCHEMBL906515 0.65 LIPG (0.53) BIDBCL2L1MCL1BAK1
SCHEMBL7705267 0.65 LIPG (0.53) BIDBCL2L1MCL1BAK1

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
WO-2011109059-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2011-09-09 WO disclosed