SCHEMBL9210404

SCHEMBL9210404

CC(C)(CS)CS(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.40

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
SCHEMBL224972 0.76 CA1 (0.32)
SCHEMBL20760799 0.76 CYP2D6 (0.47)
SCHEMBL3155907 0.74 MMP13 (0.40) MMP13
SCHEMBL7820608 0.74
SCHEMBL20761608 0.74
Hydrochloric Acid SCHEMBL5026635 0.74 CYP2D6 (0.45)
SCHEMBL5056852 0.74
Ammonia Solution, Strong SCHEMBL11871285 0.72 MMP13 (0.39) MMP13
SCHEMBL13104442 0.72 CA1 (0.31)
SCHEMBL223990 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520674-B1 Antipsychotic benzodioxan derivatives AMERICAN HOME PROD (US) 1995-08-16 EP claimed
EP-0381132-B1 Imidazopyridazines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-03-08 EP disclosed
US-5202324-A Bronchodilators TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-04-13 US disclosed
US-5155108-A Imidazopyridazines and use as antiasthmatic agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-13 US disclosed
EP-0381132-A1 Imidazopyridazines, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-08-08 EP disclosed