SCHEMBL22668449

SCHEMBL22668449

C=C(C)c1ncc([N+](=O)[O-])[nH]1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
GAA P10253 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
SCHEMBL9517067 0.82 ADRA2A (0.33)
SCHEMBL1187005 0.72
SCHEMBL12441774 0.70 MAPT (0.35) CYP1A2
SCHEMBL29793430 0.70 ALDH1A1 (0.37) CYP1A2
Sulfuric Acid SCHEMBL29169283 0.69 BAZ2B (0.35) CYP1A2
SCHEMBL11617678 0.68 ALDH1A1 (0.34) GAA
SCHEMBL28809178 0.68
SCHEMBL11727530 0.68 CYP1A2 (0.38) CYP1A2GAA
SCHEMBL27931657 0.68 ALDH1A1 (0.35)
SCHEMBL9830964 0.68 MAPK1 (0.36)

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
WO-2020231101-A1 ADHESIVE COMPOSITION FOR SEMICONDUCTOR CIRCUIT CONNECTION, AND SEMICONDUCTOR ADHESIVE FILM, METHOD FOR MANUFACTURING SEMICONDUCTOR PACKAGE, AND SEMICONDUCTOR PACKAGE, WHICH USE SAME 주식회사 엘지화학 2020-11-19 WO disclosed