SCHEMBL29245299

SCHEMBL29245299

CCN=C=NCCCN(C)C.O=C1CCC(=O)N1SO

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58

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
Hydrochloric Acid SCHEMBL28414077 0.97 CYP1A2 (0.55) CYP1A2CYP2D6
SCHEMBL490834 0.85 CYP1A2 (0.63) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL1359562 0.84 CYP1A2 (0.61) CYP1A2CYP2D6
SCHEMBL28665732 0.84 CYP1A2 (0.35) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL28461388 0.81 CYP1A2 (0.56) CYP1A2CYP2D6
SCHEMBL29245298 0.80 CYP1A2 (0.55) CYP1A2CYP2D6
SCHEMBL2295082 0.77 CYP1A2 (0.51) CYP1A2CYP2D6
Succinimide SCHEMBL19465692 0.76 CYP1A2 (0.67) CYP1A2CYP2D6
Methyl Alcohol SCHEMBL28648047 0.76 CYP1A2 (0.92) CYP1A2CYP2D6
SCHEMBL1372 0.76 CYP1A2 (1.00) CYP1A2CYP2D6

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-118302174-A Anti-inflammatory viscoelastic supplement containing hyaluronic acid 鲍尔法因德股份有限公司 2024-07-05 CN disclosed