SCHEMBL28501604

SCHEMBL28501604

C=CC(=O)N(C)C1CC(C)(C)N(N(C)C(=O)C=C)C(C)(C)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
PLCG2 P16885 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
BTK Q06187 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL16626767 0.83 ALDH1A1 (0.49) CYP2C9PLCG2NFKB1NFKB2RELA
SCHEMBL5072323 0.83 CYP2C9 (0.38) CYP2C9PLCG2NFKB1NFKB2RELA
SCHEMBL28904108 0.79 CYP2C9 (0.39) CYP2C9PLCG2NFKB1NFKB2RELA
SCHEMBL28233891 0.78 CYP2C9 (0.34) CYP2C9PLCG2NFKB1NFKB2RELA
SCHEMBL28126801 0.76 TSHR (0.34) NFKB1
SCHEMBL21693930 0.76 CYP2C9 (0.33) CYP2C9PLCG2NFKB1NFKB2RELA
SCHEMBL5073003 0.75 ALOX15 (0.44) CYP2C9PLCG2NFKB1NFKB2RELA
SCHEMBL15710982 0.70
SCHEMBL21565893 0.68 JAK3 (0.36) CYP2C9PLCG2NFKB1NFKB2RELA
SCHEMBL16626762 0.68 ALDH1A1 (0.40) ALDH1A1ALOX15

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-114945638-A Resin emulsion for water-based ink 株式会社日本触媒 2022-08-26 CN disclosed
CN-108026405-B Resin emulsion for paint 株式会社日本触媒 2020-12-01 CN disclosed
CN-102365758-A Protective sheet for solar cell module and solar cell module LINTEC CORP 2012-02-29 CN disclosed