SCHEMBL14620752

SCHEMBL14620752

O=[N+]([O-])c1cccc([N+](=O)[O-])c1COS(=O)(=O)C(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
S100A4 P26447 2/20 0.38
PTPRC P08575 1/20 0.38
GPR35 Q9HC97 2/20 0.38
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
STAT6 P42226 1/20 0.36
HIF1A Q16665 1/20 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
SCHEMBL13098341 0.81 TDP1 (0.41) TDP1KMT2AMEN1S100A4PTPRC
SCHEMBL28290110 0.79 TDP1 (0.46) TDP1KMT2AMEN1S100A4GPR35
SCHEMBL5711756 0.79 TDP1 (0.46) TDP1KMT2AMEN1S100A4PTPRC
SCHEMBL7603497 0.78 CA2 (0.45) TDP1KMT2AMEN1S100A4PTPRC
SCHEMBL6763021 0.76 CA2 (0.48) TDP1KMT2AMEN1S100A4PTPRC
SCHEMBL952171 0.75 KMT2A (0.49) TDP1KMT2AMEN1S100A4PTPRC
SCHEMBL7602645 0.74 PRMT5 (0.43) KMT2AMEN1ALDH1A1HTTCYP1A2
SCHEMBL5135097 0.74 HTT (0.49) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL59130 0.73 ALDH1A1 (0.47) TDP1KMT2AMEN1RAB9AALDH1A1
SCHEMBL3253710 0.73 PTGS2 (0.42) KMT2AMEN1NPC1RAB9AHTT

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
US-20070003871-A1 Positive photosensitive composition FUJI PHOTO FILM CO., LTD. 2007-01-04 US disclosed