SCHEMBL3810210

SCHEMBL3810210

CCOc1ccc(-c2cc(NS(=O)(=O)c3ccccc3C)c(OC(=O)O)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3814666 0.89 TRIM24 (0.47) KDM4E
SCHEMBL3816632 0.89 NPSR1 (0.49) MEN1KMT2AKDM4EGAAHTT
SCHEMBL3811604 0.88 NPSR1 (0.41) KDM4E
SCHEMBL2157876 0.87 MEN1 (0.56) MEN1KMT2AMAPTPOLBTP53
SCHEMBL3812602 0.87 NPSR1 (0.46) KDM4E
SCHEMBL3811170 0.86 PTGES2 (0.42) MEN1KMT2AKDM4EGAAHTT
SCHEMBL3811426 0.86 RAD52 (0.47) MEN1KMT2AGAAHTTALDH1A1
SCHEMBL3815294 0.86 NPSR1 (0.42) KDM4E
SCHEMBL3816724 0.86 ACLY (0.47) —
SCHEMBL3807312 0.86 NPSR1 (0.53) KDM4E

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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