SCHEMBL28601800

SCHEMBL28601800

CC(C)(C)C(=N)N.O=S(=O)(O)OS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CA2 P00918 1/20 0.30

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
SCHEMBL26880 0.82 CYP2D6 (0.60) CYP2D6KDM4ECYP2C19BLMNPSR1
SCHEMBL20768706 0.82 CYP2D6 (0.60) CYP2D6KDM4ECYP2C19BLMNPSR1
Guanidine SCHEMBL6284068 0.81 KDM4E (0.41) CYP2D6KDM4ECYP2C19BLMNPSR1
SCHEMBL28052556 0.77 KDM4E (0.40) CYP2D6KDM4ECYP2C19BLMNPSR1
Thiourea SCHEMBL28217736 0.76 KDM4E (0.38) CYP2D6KDM4ECYP2C19BLMNPSR1
SCHEMBL2830995 0.75 KDM4E (0.39) CYP2D6KDM4ECYP2C19BLMNPSR1
Methylamine SCHEMBL28211422 0.74 CA2 (0.44) CYP2D6KDM4ECYP2C19BLMNPSR1
SCHEMBL803572 0.74
Hydrochloric Acid SCHEMBL184285 0.71
Hydrochloric Acid SCHEMBL28812392 0.71

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-104073196-B Adhesive composition, adhesive sheet, and optical film 日东电工株式会社 2021-08-03 CN disclosed