SCHEMBL7727147

SCHEMBL7727147

CSc1sc(C(=N)N)cc1-c1nc(-c2ccc(F)c(F)c2)cs1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
C1S P09871 13/20 0.77
PLAU P00749 11/20 0.77
PLG P00747 3/20 0.70
PLAT P00750 3/20 0.70
PRSS1 P07477 3/20 0.70

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 SCHEMBL7475540 0.99 C1S (0.75) C1SPLAUPLGPLATPRSS1
SCHEMBL7736124 0.89 C1S (0.81) C1SPLAUPLGPLATPRSS1
Hydrochloric Acid SCHEMBL7473766 0.88 C1S (0.80) C1SPLAUPLGPLATPRSS1
SCHEMBL6924682 0.87 C1S (1.00) C1SPLAUPLGPLATPRSS1
SCHEMBL7736160 0.86 C1S (0.79) C1SPLAUPLGPLATPRSS1
SCHEMBL7736658 0.85 C1S (0.83) C1SPLAUPLGPLATPRSS1
SCHEMBL6926657 0.85 C1S (1.00) C1SPLAUPLGPLATPRSS1
Hydrochloric Acid SCHEMBL7466736 0.85 C1S (0.77) C1SPLAUPLGPLATPRSS1
SCHEMBL7727193 0.85 C1S (0.69) C1SPLAUPLGPLATPRSS1
SCHEMBL6924361 0.85 C1S (1.00) 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