SCHEMBL28052697

SCHEMBL28052697

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
FBP1 P09467 3/20 0.35
PRMT1 Q99873 1/20 0.34
CYP19A1 P11511 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
KIF11 P52732 3/20 0.33
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
CPA1 P15085 2/20 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
SCHEMBL19326612 0.81 LMNA (0.35) ALDH1A1LMNACYP2C19HIF1AKIF11
SCHEMBL28052699 0.79 LMNA (0.34) GSRALDH1A1LMNACYP19A1KIF11
SCHEMBL9389411 0.79 CYP19A1 (0.36) GSRALDH1A1LMNAFBP1PRMT1
SCHEMBL15808773 0.78 KIF11 (0.53) CYP2C19KIF11
SCHEMBL11830156 0.77 CYP1A2 (0.41) GSRALDH1A1LMNAFBP1CYP2C19
SCHEMBL8977877 0.76 ALDH1A1 (0.38) ALDH1A1LMNAFBP1CYP19A1CYP2C19
SCHEMBL8977864 0.76 ALDH1A1 (0.38) ALDH1A1LMNAFBP1CYP19A1TDP1
SCHEMBL10980604 0.75 HSP90AA1 (0.45) ALDH1A1KIF11
SCHEMBL3202580 0.74 CYP1A2 (0.45) ALDH1A1LMNACYP2C19HIF1AKIF11
SCHEMBL11444270 0.72 LMNA (0.41) GSRALDH1A1LMNAFBP1CYP19A1

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-105358507-A Gas generating composition with reduced solid discharge of inflator HANWHA CORP 2016-02-24 CN disclosed