SCHEMBL7727187

SCHEMBL7727187

CSc1sc(C(=N)N)cc1-c1nc(-c2cccc(C(=N)N)c2)cs1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
C1S P09871 12/20 0.82
PLAU P00749 12/20 0.82
PLG P00747 3/20 0.82
PLAT P00750 3/20 0.82
PRSS1 P07477 3/20 0.82

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 SCHEMBL7472865 0.99 C1S (0.80) C1SPLAUPLGPLATPRSS1
SCHEMBL6921838 0.90 C1S (1.00) C1SPLAUPLGPLATPRSS1
SCHEMBL6925045 0.90 PLAU (1.00) C1SPLAUPLGPLATPRSS1
SCHEMBL6924659 0.90 C1S (1.00) C1SPLAUPLGPLATPRSS1
SCHEMBL7735948 0.89 C1S (0.79) C1SPLAUPLGPLATPRSS1
SCHEMBL6926174 0.89 C1S (0.79) C1SPLAUPLGPLATPRSS1
Hydrochloric Acid SCHEMBL6926395 0.89 C1S (0.98) C1SPLAUPLGPLATPRSS1
SCHEMBL7736160 0.89 C1S (0.79) C1SPLAUPLGPLATPRSS1
Hydrochloric Acid SCHEMBL6925028 0.89 PLAU (0.98) C1SPLAUPLGPLATPRSS1
SCHEMBL7736658 0.89 C1S (0.83) C1SPLAUPLGPLATPRSS1

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
US-6403633-B2 USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-06-11 US claimed