SCHEMBL28480910

SCHEMBL28480910

CCc1cc(CC)c(N=C=N)c(CC)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HSPA5 P11021 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
SCHEMBL20184775 0.83 GABRA1 (0.42) GABRA1GABRB2MEN1GAAKMT2A
SCHEMBL11421561 0.79 GABRA1 (0.62) GABRA1GABRB2MEN1GAAKMT2A
SCHEMBL2316422 0.77 GABRA1 (0.67) GABRA1GABRB2
SCHEMBL28476740 0.75 TRPA1 (0.35) GABRA1GABRB2GAA
SCHEMBL27755687 0.73 HPGD (0.39)
SCHEMBL80318 0.71 GABRA1 (0.59) GABRA1GABRB2
SCHEMBL28306014 0.71 GABRA1 (0.48) GABRA1GABRB2MEN1GAAKMT2A
SCHEMBL27755504 0.71 GABRA1 (0.42) GABRA1GABRB2
SCHEMBL27532031 0.69 GABRA1 (0.56) GABRA1GABRB2
SCHEMBL941367 0.69 GABRA1 (0.60) GABRA1GABRB2

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-107848963-B Acid-resistant alkali-producing agent and/or radical-producing agent, and curable resin composition containing same 富士胶片和光纯药株式会社 2020-11-03 CN disclosed