SCHEMBL6927976

SCHEMBL6927976

Cc1sc(C(=N)N)cc1-c1nc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3F)c2)cs1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
C1S P09871 8/20 0.81
PLAU P00749 9/20 0.56
USP2 O75604 1/20 0.47
TP53 P04637 4/20 0.46
MAPT P10636 3/20 0.46
PLG P00747 2/20 0.45
PLAT P00750 2/20 0.45
PRSS1 P07477 2/20 0.45
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.43

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
SCHEMBL6920317 0.90 C1S (1.00) C1SPLAUPLGPLATPRSS1
SCHEMBL6925269 0.79 C1S (0.81) C1SPLAUPLGPLATPRSS1
SCHEMBL6921168 0.76 C1S (0.76) C1SPLAUPLGPLATPRSS1
SCHEMBL15698845 0.75 HSPA5 (0.65) C1SUSP2TP53MAPTLMNA
SCHEMBL6926742 0.74 PLAU (1.00) C1SPLAUPLGPLATPRSS1
SCHEMBL6925245 0.73 PLAU (0.81) C1SPLAUPLGPLATPRSS1
SCHEMBL6925434 0.71 C1S (0.70) C1SPLAUPLGPLATPRSS1
Trifluoroacetic Acid SCHEMBL7130879 0.71 PLAU (0.83) C1SPLAUPLGPLATPRSS1
SCHEMBL2810572 0.69 PLAU (1.00) C1SPLAUPLGPLATPRSS1
SCHEMBL7827575 0.69 PLAU (0.69) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6515002-B2 4-(4-(1-phenyl-5-propylpyrazol4-yl)(1,3-thiazol-2-yl))-5 -methylthiothiophene-2-carboxamidine, for example; complement inhibitors; treating tissue damage, inflammation, or autoimmune diseases 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-04 US disclosed
US-6492403-B1 TREATING SYMPTOMS OF ACUTE OR CHRONIC DISORDER MEDIATED BY CLASSICAL PATHWAY OF COMPLEMENT CASCADE; PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-12-10 US disclosed
EP-1152759-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-14 EP disclosed
WO-2000047194-A9 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR DIMENSIONAL PHARM INC (US) 2001-05-31 WO disclosed
WO-2000047194-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed