SCHEMBL9089397

SCHEMBL9089397

COC1([N+](=O)[O-])C=CC(C=Cc2ccccc2)=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.36
NFE2L2 Q16236 3/20 0.35
TRPA1 O75762 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP19A1 P11511 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
S1PR4 O95977 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
CCR6 P51684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR9 Q9NR96 1/20 0.33
CMA1 P23946 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL6857278 0.80 NFE2L2 (0.43) FBP1NFE2L2CYP19A1MEN1KMT2A
SCHEMBL27693786 0.79 FBP1 (0.31) FBP1NFE2L2
SCHEMBL8930790 0.79 FBP1 (0.40) FBP1NFE2L2CYP19A1MEN1KMT2A
SCHEMBL27586410 0.79 CTDSP1 (0.31) ALDH1A1
SCHEMBL28766971 0.79 APP (0.37) NFE2L2
SCHEMBL1101015 0.78 FBP1 (0.37) FBP1NFE2L2CYP19A1MEN1KMT2A
SCHEMBL9189945 0.77 FBP1 (0.39) FBP1NFE2L2TRPA1CYP19A1MEN1
SCHEMBL9190188 0.77 FBP1 (0.39) FBP1NFE2L2CYP19A1MEN1KMT2A
SCHEMBL10940951 0.77 FBP1 (0.36) FBP1NFE2L2MEN1KMT2AS1PR4
SCHEMBL11775251 0.76 TRPA1 (0.40) NFE2L2TRPA1MEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1702545-A Method for forming temporary image XEROX CORP (US) 2005-11-30 CN disclosed
CN-1702546-A Method for forming temporary image XEROX CORP (US) 2005-11-30 CN disclosed
US-5504101-A TRYPTAMINE ANALOGS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1996-04-02 US disclosed