SCHEMBL8478453

SCHEMBL8478453

CCCNC1=Nc2ncncc2S(=O)(=O)N1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8478629 0.92 HCAR3 (0.32)
SCHEMBL8477853 0.83 HCAR3 (0.30)
SCHEMBL8475719 0.79 HCAR3 (0.32)
SCHEMBL8473663 0.76
SCHEMBL8478464 0.74
SCHEMBL8475635 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8474017 0.73 UTS2R (0.30)
SCHEMBL8719264 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8474802 0.69 PDE7A (0.35)
SCHEMBL8477302 0.66 HCAR3 (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5889002-A CENTRAL NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS; GASTROINTESTINAL DISORDERS; ENDOCRINAL DISEASES NOVO NORDISK A/S (DK) 1999-03-30 US disclosed
CN-1208417-A Fused 1,2,4-thiadiazine and fused 1,4-thiazine derivatives, their preparation and use NOVO NORDISK AS (DK) 1999-02-17 CN disclosed