SCHEMBL8680674

SCHEMBL8680674

COc1ccc([N+](=O)[O-])c2c1OC1(C=C2)N(C)c2cc([N+](=O)[O-])ccc2C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GFER P55789 1/20 0.43
LMNA P02545 6/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 2/20 0.36
TTR P02766 2/20 0.35
MAPT P10636 5/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ALPG P10696 1/20 0.34
RECQL P46063 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL8680226 0.93 MEN1 (0.51) MEN1KMT2AGFERLMNATDP1
SCHEMBL8680865 0.91 MEN1 (0.36) MEN1KMT2AGFERLMNATDP1
SCHEMBL8679863 0.89 MAPT (0.43) MEN1KMT2AGFERLMNATDP1
SCHEMBL8682138 0.86 MEN1 (0.42) MEN1KMT2AGFERLMNATDP1
SCHEMBL8680048 0.85 MEN1 (0.41) MEN1KMT2AGFERLMNATDP1
SCHEMBL8685186 0.83 MEN1 (0.41) MEN1KMT2AGFERLMNATDP1
SCHEMBL4183155 0.83 MEN1 (0.48) MEN1KMT2AGFERLMNATDP1
SCHEMBL30480955 0.83 MEN1 (0.48) MEN1KMT2AGFERLMNATDP1
SCHEMBL8684754 0.82 TDP1 (0.35) MEN1KMT2AGFERLMNATDP1
SCHEMBL8862626 0.82 TDP1 (0.35) MEN1KMT2AGFERLMNATDP1

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-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US claimed