SCHEMBL6624142

SCHEMBL6624142

NS(=O)(=O)c1ccc(-c2ccsc2)c(-c2nccs2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
IKBKB O14920 1/20 0.43
ENPP3 O14638 1/20 0.40
CKS1B P61024 1/20 0.36
SKP2 Q13309 1/20 0.36
PTPRC P08575 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
CYP2A6 P11509 2/20 0.35
IDH2 P48735 1/20 0.35
LRRK2 Q5S007 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6681642 0.87 LRRK2 (0.44) CA2CA9CA12CA1IKBKB
SCHEMBL27997605 0.86 CA2 (0.43) CA2CA9CA12CA1ENPP3
SCHEMBL6623867 0.84 PDPK1 (0.49) CA2CA9CA12CA1ENPP3
SCHEMBL6624144 0.78 PTPRC (0.43) CA2CA9CA12CA1IKBKB
SCHEMBL20899926 0.78 CA2 (0.45) CA2CA9CA12CA1ENPP3
SCHEMBL20899969 0.76 CA2 (0.51) CA2CA9CA12CA1NPC1
SCHEMBL31345785 0.73 LOXL2 (0.56) CA2CA9CA12CA1ENPP3
SCHEMBL5693321 0.72 CA2 (0.41) CA2CA9CA12CA1ENPP3
SCHEMBL27944286 0.71 CA2 (0.55) CA2CA9CA12CA1ENPP3
Hydrochloric Acid SCHEMBL20899879 0.71 CA2 (0.40) CA2CA9CA12CA1ENPP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461325-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2004-09-29 EP disclosed
WO-2003043999-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO disclosed