SCHEMBL14919985

SCHEMBL14919985

O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cccc4cccc(Cl)c34)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
MAPK1 P28482 1/20 0.59
HSD11B1 P28845 1/20 0.55
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 1/20 0.49
GAA P10253 1/20 0.48
TP53 P04637 1/20 0.47
TNF P01375 1/20 0.46
RAB9A P51151 1/20 0.46
NOD1 Q9Y239 1/20 0.46
POLB P06746 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2959785 0.87 KMT2A (0.62) MAPTHSD11B1KMT2AMEN1ALDH1A1
SCHEMBL14919733 0.80 ALDH1A1 (0.73) MAPTMAPK1HSD11B1KMT2AMEN1
SCHEMBL2950381 0.76 MEN1 (0.60) MAPTKMT2AMEN1ALDH1A1TP53
SCHEMBL7340782 0.75 HSD11B1 (0.59) MAPTHSD11B1KMT2AMEN1ALDH1A1
SCHEMBL334128 0.75 MGLL (0.67) MAPTHSD11B1KMT2AMEN1TDP1
SCHEMBL11508240 0.73 MEN1 (0.65) MAPK1HSD11B1KMT2AMEN1ALDH1A1
SCHEMBL1711126 0.73 HSD11B1 (0.70) MAPTHSD11B1KMT2AMEN1ALDH1A1
SCHEMBL2953603 0.73 MAPT (0.59) MAPTHSD11B1KMT2AMEN1ALDH1A1
SCHEMBL15271381 0.71 SIRT6 (0.81) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL6151230 0.71 SIRT6 (0.81) MAPTKMT2AMEN1ALDH1A1GAA

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-2013066469-A2 KINASE INHIBITORS CAPABLE OF INCREASING THE SENSITIVITY OF BACTERIAL PATHOGENS TO B-LACTAM ANTIBIOTICS SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2013-05-10 WO disclosed