SCHEMBL28405665

SCHEMBL28405665

O=[N+]([O-])C(=C(OC(=C(c1ccccc1)[N+](=O)[O-])c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.43
CES2 O00748 3/20 0.40
CES1 P23141 3/20 0.40
FBP1 P09467 3/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.38
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
VCAM1 P19320 1/20 0.37
ELANE P08246 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL2112645 0.86 TSHR (0.45) PRMT1CES2CES1FBP1ALDH1A1
SCHEMBL10995027 0.85 PRMT1 (0.54) PRMT1CES2CES1FBP1ALDH1A1
SCHEMBL14935500 0.85 PRMT1 (0.54) PRMT1CES2CES1FBP1ALDH1A1
SCHEMBL7260785 0.85 PRMT1 (0.54) PRMT1CES2CES1FBP1ALDH1A1
SCHEMBL9206410 0.79 FBP1 (0.52) PRMT1CES2CES1FBP1ALDH1A1
SCHEMBL27711048 0.77 PRMT1 (0.47) PRMT1CES2CES1FBP1ALDH1A1
SCHEMBL8413167 0.77 PRMT1 (0.47) PRMT1CES2CES1FBP1ALDH1A1
SCHEMBL5166975 0.77 PRMT1 (0.47) PRMT1CES2CES1FBP1ALDH1A1
SCHEMBL2345993 0.74 CES2 (0.43) PRMT1CES2CES1FBP1ALDH1A1
SCHEMBL27693963 0.74 CES2 (0.47) PRMT1CES2CES1ALDH1A1MAPK1

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
CN-111057268-A Stable aliphatic dinitrile oxide cross-linking agent, cross-linked body and preparation method thereof 西南科技大学 2020-04-24 CN disclosed