SCHEMBL7736175

SCHEMBL7736175

COc1ccc(Br)c(-c2csc(-c3cc(C(=N)N)sc3SC)n2)c1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
C1S P09871 15/20 0.78
PLG P00747 1/20 0.71
PLAT P00750 1/20 0.71
PRSS1 P07477 1/20 0.71
PLAU P00749 9/20 0.64

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 SCHEMBL7470625 0.99 C1S (0.77) C1SPLGPLATPRSS1PLAU
SCHEMBL6434656 0.89 C1S (0.86) C1SPLGPLATPRSS1PLAU
Hydrochloric Acid SCHEMBL6925110 0.88 C1S (0.85) C1SPLGPLATPRSS1PLAU
SCHEMBL6927513 0.88 C1S (1.00) C1SPLGPLATPRSS1PLAU
Hydrochloric Acid SCHEMBL6921856 0.87 C1S (0.98) C1SPLGPLATPRSS1PLAU
SCHEMBL6921141 0.85 C1S (1.00) C1SPLGPLATPRSS1PLAU
Hydrochloric Acid SCHEMBL6926241 0.85 C1S (0.98) C1SPLGPLATPRSS1PLAU
SCHEMBL6927408 0.83 C1S (1.00) C1SPLGPLATPRSS1PLAU
SCHEMBL6927390 0.82 C1S (0.82) C1SPLGPLATPRSS1PLAU
Hydrochloric Acid SCHEMBL6920446 0.82 C1S (0.98) C1SPLGPLATPRSS1PLAU

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