SCHEMBL16893221

SCHEMBL16893221

O=[N+]([O-])c1cc([N+](=O)[O-])c(NN(c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 2/20 0.47
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MITF O75030 1/20 0.44
TSHR P16473 1/20 0.41
ATM Q13315 2/20 0.41
TLR9 Q9NR96 2/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL238958 0.81 MEN1 (0.68) MEN1KMT2APOLBHSP90AA1ALDH1A1
Water SCHEMBL28099770 0.80 MEN1 (0.66) MEN1KMT2APOLBHSP90AA1ALDH1A1
SCHEMBL265117 0.79 MEN1 (0.55) MEN1KMT2APOLBHSP90AA1ALDH1A1
SCHEMBL265841 0.77 MEN1 (0.53) MEN1KMT2APOLBHSP90AA1ALDH1A1
SCHEMBL265920 0.77 MEN1 (0.59) MEN1KMT2APOLBHSP90AA1ALDH1A1
Alcohol SCHEMBL28281654 0.74 KMT2A (0.59) MEN1KMT2APOLBHSP90AA1ALDH1A1
SCHEMBL272006 0.73 POLB (0.61) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL267113 0.71 MEN1 (0.58) MEN1KMT2APOLBHSP90AA1ALDH1A1
Nitrobenzene SCHEMBL28301918 0.71 ALDH1A1 (0.62) MEN1KMT2APOLBHSP90AA1ALDH1A1
SCHEMBL266152 0.70 MEN1 (0.51) MEN1KMT2APOLBHSP90AA1ALDH1A1

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
EP-1655070-B1 OXIDATION CATALYST ASAHI KASEI CHEMICALS CORP (JP) 2015-07-15 EP claimed