SCHEMBL8361012

SCHEMBL8361012

CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc(Br)c2c(c1)ncn2Cc1ccccc1

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 0.74
PRSS1 P07477 1/20 0.74
PRSS2 P07478 1/20 0.74
PRSS3 P35030 1/20 0.74

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 SCHEMBL5841189 0.95 C1S (0.90) C1SF10PRSS1PRSS2PRSS3
SCHEMBL8362856 0.90 C1S (1.00) C1SF10PRSS1PRSS2PRSS3
SCHEMBL5840862 0.88 C1S (0.79) C1SF10PRSS1PRSS2PRSS3
SCHEMBL8363658 0.88 C1S (1.00) C1SF10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL5981495 0.86 C1S (0.89) C1SF10PRSS1PRSS2PRSS3
SCHEMBL8363372 0.85 C1S (1.00) C1SF10PRSS1PRSS2PRSS3
SCHEMBL8363387 0.85 C1S (1.00) C1SF10PRSS1PRSS2PRSS3
SCHEMBL8363805 0.85 C1S (1.00) C1SF10PRSS1PRSS2PRSS3
SCHEMBL8363649 0.85 C1S (0.88) C1SF10PRSS1PRSS2PRSS3
SCHEMBL31060609 0.85 C1S (1.00) 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