SCHEMBL8363387

SCHEMBL8363387

CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc(Br)c2c(c1)ncn2-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
C1S P09871 20/20 1.00
F10 P00742 1/20 0.63
PRSS1 P07477 1/20 0.63
PRSS2 P07478 1/20 0.63
PRSS3 P35030 1/20 0.63

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
Trifluoroacetic Acid SCHEMBL5842039 0.94 C1S (0.89) C1SF10PRSS1PRSS2PRSS3
SCHEMBL5840957 0.88 C1S (0.78) C1SF10PRSS1PRSS2PRSS3
SCHEMBL8363801 0.86 C1S (1.00) C1S
SCHEMBL8361012 0.85 C1S (1.00) C1SF10PRSS1PRSS2PRSS3
SCHEMBL8360981 0.85 C1S (1.00) C1SF10PRSS1PRSS2PRSS3
SCHEMBL8361015 0.85 C1S (1.00) C1SF10PRSS1PRSS2PRSS3
SCHEMBL8361010 0.85 C1S (1.00) C1SF10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL5840663 0.81 C1S (0.89) C1S
Trifluoroacetic Acid SCHEMBL5840070 0.81 C1S (0.86) C1SF10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL5841189 0.81 C1S (0.90) C1SF10PRSS1PRSS2PRSS3

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
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed