SCHEMBL7738335

SCHEMBL7738335

CSc1sc(C(=N)N)cc1-c1nc(-c2cc(Cl)cc(Cl)c2)cs1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
C1S P09871 15/20 0.81
PLAU P00749 8/20 0.81
PLG P00747 2/20 0.68
PLAT P00750 2/20 0.68
PRSS1 P07477 2/20 0.68

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 SCHEMBL7472820 0.99 C1S (0.80) C1SPLAUPLGPLATPRSS1
SCHEMBL6924682 0.90 C1S (1.00) C1SPLAUPLGPLATPRSS1
SCHEMBL7735948 0.89 C1S (0.79) C1SPLAUPLGPLATPRSS1
Hydrochloric Acid SCHEMBL7464336 0.88 C1S (0.77) C1SPLAUPLGPLATPRSS1
SCHEMBL6926297 0.85 C1S (0.80) C1SPLAUPLGPLATPRSS1
SCHEMBL6924659 0.85 C1S (1.00) C1SPLAUPLGPLATPRSS1
Hydrochloric Acid SCHEMBL6921446 0.84 C1S (0.78) C1SPLAUPLGPLATPRSS1
SCHEMBL6927284 0.84 C1S (0.75) C1SPLAUPLGPLATPRSS1
SCHEMBL6924035 0.84 C1S (1.00) C1SPLAUPLGPLATPRSS1
SCHEMBL6927390 0.84 C1S (0.82) 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