SCHEMBL6468837

SCHEMBL6468837

CCCN(C)c1c(S(N)(=O)=O)ccc(Sc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.38
CA4 P22748 6/20 0.38
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA3 P07451 4/20 0.37
CA6 P23280 4/20 0.37
CA7 P43166 4/20 0.37
CA9 Q16790 4/20 0.37
CA13 Q8N1Q1 4/20 0.37
CA14 Q9ULX7 4/20 0.37
CA5B Q9Y2D0 4/20 0.37
CA5A P35218 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
PDE7A Q13946 2/20 0.35
PDE7B Q9NP56 1/20 0.35
MAPT P10636 4/20 0.35
HCAR3 P49019 1/20 0.34
GAA P10253 1/20 0.34
BCL2L1 Q07817 1/20 0.34
LMNA P02545 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
SCHEMBL1114262 0.73 CA2 (0.40) CA2CA4CA12CA1CA3
SCHEMBL6468940 0.73 TDP1 (0.49) CA2CA12CA1CA9TDP1
SCHEMBL4215302 0.72 HTT (0.42) CA2CA4CA12CA1CA3
SCHEMBL6468791 0.67 TDP1 (0.46) CA2CA12CA1CA7CA9
SCHEMBL6470839 0.66 MAPT (0.45) CA2CA9TDP1MAPTGAA
SCHEMBL1114110 0.64 CA2 (0.36) CA2CA4CA12CA1CA3
SCHEMBL4707544 0.64 PDE7A (0.48) TDP1PDE7APDE7BMAPTGAA
SCHEMBL4893213 0.62 BCL2L1 (0.34) CA2CA4CA12CA1CA3
SCHEMBL5013613 0.62 CA2 (0.51) CA2CA4CA12CA1CA3
SCHEMBL9709555 0.60 PDE7A (0.58) TDP1PDE7APDE7BMAPTGAA

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-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed