SCHEMBL6533266

SCHEMBL6533266

CCCN(C)C1([N+](=O)[O-])C=CC=C(S(N)(=O)=O)C1Sc1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1114260 0.73 CA12 (0.32)
SCHEMBL4215300 0.72
SCHEMBL6469780 0.64 BCL2L1 (0.34) BCL2L1
SCHEMBL4207314 0.59 TDP1 (0.30) TDP1
SCHEMBL1114368 0.58 ALDH1A1 (0.35)
SCHEMBL6468837 0.57 CA2 (0.38) BCL2L1TDP1
SCHEMBL9129233 0.54 TDP1 (0.30) TDP1
SCHEMBL6468813 0.54 SIGMAR1 (0.39)
SCHEMBL28474702 0.52 ALDH1A1 (0.37) TDP1
SCHEMBL19335729 0.52 ALDH1A1 (0.37) TDP1

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