SCHEMBL6533327

SCHEMBL6533327

CC(CCCNc1c([N+](=O)[O-])cccc1S(N)(=O)=O)S(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KAT2B Q92831 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
MAOA P21397 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL6026291 0.82 KMT2A (0.41) MAPTKMT2APKMALDH1A1MEN1
SCHEMBL6531288 0.80 MEN1 (0.40) MAPTKMT2APKMALDH1A1MEN1
SCHEMBL6025521 0.78 KMT2A (0.42) MAPTKMT2APKMALDH1A1MEN1
SCHEMBL30349660 0.76 KMT2A (0.46) MAPTKMT2APKMALDH1A1MEN1
SCHEMBL6530527 0.74 KMT2A (0.41) MAPTKMT2APKMALDH1A1MEN1
SCHEMBL25175996 0.72 HRH3 (0.43) MAPTKMT2APKMALDH1A1MEN1
SCHEMBL1701615 0.70 KMT2A (0.47) MAPTKMT2APKMALDH1A1MEN1
SCHEMBL25169485 0.69 KMT2A (0.41) MAPTKMT2APKMALDH1A1MEN1
SCHEMBL6533313 0.68 KMT2A (0.41) MAPTKMT2APKMALDH1A1MEN1
SCHEMBL29889311 0.66 KMT2A (0.68) MAPTKMT2AALDH1A1MEN1SMN1; SMN2

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