SCHEMBL11342191

SCHEMBL11342191

CCCCS(=O)(=O)N(c1[c]cccc1)S(=O)(=O)CCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
NLRP3 Q96P20 1/20 0.34
CNR2 P34972 1/20 0.33
PER2 O15055 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
HTR6 P50406 2/20 0.32
GAA P10253 1/20 0.31
AR P10275 1/20 0.31
NR3C1 P04150 1/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
MAP2K7 O14733 1/20 0.30
S100A4 P26447 1/20 0.30
CDC25A P30304 1/20 0.30
CDC25B P30305 1/20 0.30

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
SCHEMBL2536094 0.76 KCNE1 (0.33) TDP1MAP2K7S100A4CDC25ACDC25B
SCHEMBL2540120 0.75 ESR1 (0.35) TDP1ESR1
SCHEMBL2537926 0.74 ESR1 (0.33) GAAHIF1AEPAS1ESR1
SCHEMBL8317551 0.73 KEAP1 (0.30)
SCHEMBL6623865 0.71 PSIP1 (0.35) TDP1PSEN1PSEN2APH1BNCSTN
SCHEMBL7849438 0.71 ESR1 (0.33) TDP1HTR6ESR1
SCHEMBL2460591 0.70 TDP1 (0.37) TDP1CNR2GAAAR
SCHEMBL1077660 0.69 KCNH2 (0.38) TDP1CNR2
SCHEMBL2448855 0.69 MAPT (0.37) TDP1GAAESR1
SCHEMBL9800560 0.68 KCNH2 (0.40) CNR2

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
US-4268592-A PYRAZOLONE MAGENTA COUPLER CIBA-GEIGY AG (CH) 1981-05-19 US disclosed