SCHEMBL6468940

SCHEMBL6468940

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
PKM P14618 3/20 0.42
HCAR3 P49019 1/20 0.40
CA9 Q16790 3/20 0.40
CA2 P00918 3/20 0.40
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 2/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 2/20 0.39
VCAM1 P19320 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM6 O15303 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL6470839 0.92 MAPT (0.45) TDP1KMT2AMEN1PKMCA9
SCHEMBL3661467 0.78 KMT2A (0.41) KMT2AMEN1PKMCA9CA2
SCHEMBL6468791 0.78 TDP1 (0.46) TDP1KMT2AMEN1PKMHCAR3
SCHEMBL11576923 0.73 TDP1 (0.59) TDP1HCAR3CA9ALDH1A1VCAM1
SCHEMBL6468837 0.73 CA2 (0.38) TDP1HCAR3CA9CA2GAA
SCHEMBL1807309 0.71 TDP1 (0.62) TDP1KMT2AMEN1PKMCA9
SCHEMBL1894245 0.71 GPR35 (0.50) TDP1HCAR3CA9ALDH1A1SMN1; SMN2
SCHEMBL4158554 0.70 KMT2A (0.70) KMT2AMEN1PKMCA9CA2
SCHEMBL370668 0.70 KMT2A (0.70) KMT2AMEN1PKMCA9CA2
SCHEMBL7531976 0.70 KMT2A (0.53) TDP1KMT2AMEN1PKMCA9

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