SCHEMBL3813398

SCHEMBL3813398

CCCCc1ccc(-c2cc(NS(=O)(=O)c3ccccc3C)c(OC(=O)O)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ IDH1 O75874 1/20 0.41
▸ JAK2 O60674 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3811604 0.90 NPSR1 (0.41) METAP2NPSR1
SCHEMBL3811170 0.88 PTGES2 (0.42) NPSR1
SCHEMBL3816632 0.87 NPSR1 (0.49) NPSR1
SCHEMBL2158667 0.87 ACLY (0.47) METAP2MCL1NPSR1
SCHEMBL3812602 0.85 NPSR1 (0.46) NPSR1
SCHEMBL3810210 0.85 MEN1 (0.44) —
SCHEMBL3815294 0.84 NPSR1 (0.42) NPSR1
SCHEMBL3816724 0.84 ACLY (0.47) IDH1NPSR1
SCHEMBL3811426 0.84 RAD52 (0.47) NPSR1
SCHEMBL3807312 0.84 NPSR1 (0.53) NPSR1

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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