SCHEMBL7738277

SCHEMBL7738277

CSc1sc(C(=N)N)cc1-c1nc(-c2cccs2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ C1S P09871 15/20 1.00
▸ PLAU P00749 9/20 1.00
▸ PLG P00747 2/20 0.67
▸ PLAT P00750 2/20 0.67
▸ PRSS1 P07477 2/20 0.67

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
Acetic Acid SCHEMBL6921721 0.95 C1S (0.90) C1SPLAUPLGPLATPRSS1
SCHEMBL6924659 0.84 C1S (1.00) C1SPLAUPLGPLATPRSS1
SCHEMBL6922627 0.84 C1S (0.72) C1SPLAUPLGPLATPRSS1
Hydrochloric Acid SCHEMBL6924883 0.83 C1S (0.98) C1SPLAUPLGPLATPRSS1
SCHEMBL6925411 0.82 C1S (0.70) C1SPLAUPLGPLATPRSS1
SCHEMBL6927431 0.82 C1S (1.00) C1SPLAUPLGPLATPRSS1
SCHEMBL6925807 0.82 C1S (0.80) C1SPLAUPLGPLATPRSS1
SCHEMBL6925000 0.82 C1S (1.00) C1SPLAUPLGPLATPRSS1
Hydrochloric Acid SCHEMBL6921043 0.81 C1S (0.98) C1SPLAUPLGPLATPRSS1
SCHEMBL7735903 0.81 C1S (0.71) 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
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