SCHEMBL3815210

SCHEMBL3815210

O=C(O)Oc1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGA1 P56199 2/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.48
NPSR1 Q6W5P4 1/20 0.46
ACLY P53396 5/20 0.45
SLC40A1 Q9NP59 2/20 0.44

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
SCHEMBL3816592 0.90 TRIM24 (0.46) NPSR1ACLY
SCHEMBL3811541 0.90 NPSR1 (0.48) NPSR1ACLY
SCHEMBL3812093 0.87 NPSR1 (0.46) NPSR1ACLY
SCHEMBL3814727 0.85 NPSR1 (0.57) NPSR1ACLY
SCHEMBL3809012 0.84 NPSR1 (0.56) NPSR1ACLY
SCHEMBL3812301 0.84 NPSR1 (0.43) NPSR1
SCHEMBL3809155 0.84 NPSR1 (0.49) NPSR1ACLY
SCHEMBL3816724 0.84 ACLY (0.47) PTGDR2NPSR1ACLY
SCHEMBL3807904 0.84 HSD17B1 (0.48) NPSR1
SCHEMBL3809025 0.83 ACLY (0.58) NPSR1ACLY

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
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 EP claimed