SCHEMBL8928040

SCHEMBL8928040

COc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.55
MAPT P10636 3/20 0.55
TLR9 Q9NR96 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RAB9A P51151 1/20 0.55
PGR P06401 1/20 0.51
APP P05067 1/20 0.48
MAOB P27338 1/20 0.48
HTT P42858 3/20 0.48
TDP1 Q9NUW8 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
TDP2 O95551 1/20 0.46
TTR P02766 2/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL5030144 0.84 TLR9 (0.66) LMNAMAPTTLR9MEN1KMT2A
SCHEMBL987760 0.80 TLR9 (0.79) LMNAMAPTTLR9MEN1KMT2A
SCHEMBL30049268 0.80 TLR9 (0.79) LMNAMAPTTLR9MEN1KMT2A
SCHEMBL397931 0.75 TDP1 (0.66) LMNAMAPTMEN1KMT2AHTT
SCHEMBL29351649 0.75 TDP1 (0.66) LMNAMAPTMEN1KMT2AHTT
SCHEMBL8977874 0.75 HTT (0.68) LMNAMAPTKMT2AHTTTDP1
SCHEMBL20328418 0.75 TDP1 (0.66) LMNAMAPTMEN1KMT2AHTT
SCHEMBL20328412 0.75 TDP1 (0.66) LMNAMAPTMEN1KMT2AHTT
SCHEMBL8088143 0.75 TLR9 (0.62) LMNAMAPTTLR9MEN1KMT2A
SCHEMBL18849687 0.74 TLR9 (0.66) LMNAMAPTTLR9MEN1KMT2A

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-5663030-A A PHENYL OR NORBORNANE DERIVATIVE AS AN ADDITIVE TO REDUCE HEAT AND ENERGY REQUIRED TO FUSE THE TONER AND TO REDUCE JAMMING OF THE EQUIPMENT XEROX CORPORATION (US) 1997-09-02 US claimed