SCHEMBL6470839

SCHEMBL6470839

CCCCN(C)c1c([N+](=O)[O-])cccc1S(N)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
TDP1 Q9NUW8 2/20 0.44
PKM P14618 3/20 0.41
VCAM1 P19320 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 2/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
F13A1 P00488 1/20 0.37
TGM1 P22735 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL6468940 0.92 TDP1 (0.49) MAPTTDP1PKMVCAM1POLB
SCHEMBL3661467 0.76 KMT2A (0.41) MAPTPKMKMT2AMEN1SMN1; SMN2
SCHEMBL6468791 0.73 TDP1 (0.46) MAPTTDP1PKMPOLBKMT2A
SCHEMBL3974928 0.73 SMN1; SMN2 (0.47) MAPTTDP1POLBKMT2AMEN1
SCHEMBL11573932 0.72 MAPT (0.63) MAPTTDP1VCAM1KMT2AMEN1
SCHEMBL1807309 0.70 TDP1 (0.62) MAPTTDP1PKMKMT2AMEN1
SCHEMBL27816041 0.69 KMT2A (0.63) PKMVCAM1KMT2AMEN1SMN1; SMN2
SCHEMBL4158554 0.69 KMT2A (0.70) PKMKMT2AMEN1SMN1; SMN2CA2
SCHEMBL370668 0.69 KMT2A (0.70) PKMKMT2AMEN1SMN1; SMN2CA2
SCHEMBL11576923 0.68 TDP1 (0.59) MAPTTDP1VCAM1SMN1; SMN2CA9

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