SCHEMBL3810988

SCHEMBL3810988

O=C(O)Oc1sc(-c2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 5/20 0.48
▸ ACLY P53396 2/20 0.46
▸ MMP2 P08253 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ METAP2 P50579 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SLC40A1 Q9NP59 1/20 0.41

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
SCHEMBL3809704 0.93 MMP2 (0.49) GLO1MMP2NPSR1KDM4EMETAP2
SCHEMBL3809711 0.90 NPSR1 (0.52) GLO1MMP2NPSR1KDM4EMETAP2
SCHEMBL2158020 0.84 ACLY (0.65) GLO1ACLYMMP2NPSR1
SCHEMBL3814727 0.83 NPSR1 (0.57) ACLYNPSR1KDM4E
SCHEMBL3816724 0.81 ACLY (0.47) ACLYNPSR1
SCHEMBL3815210 0.78 ITGA1 (0.49) ACLYNPSR1SLC40A1
SCHEMBL3809012 0.78 NPSR1 (0.56) ACLYNPSR1KDM4E
SCHEMBL3809155 0.77 NPSR1 (0.49) ACLYNPSR1KDM4EMAPT
SCHEMBL3809896 0.77 ACLY (0.53) ACLYNPSR1KDM4EMETAP2TP53
SCHEMBL3816592 0.77 TRIM24 (0.46) ACLYNPSR1KDM4E

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
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