SCHEMBL16720409

SCHEMBL16720409

CS(=O)(=O)Nc1ccc(C2=CC=C[N]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.50
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KEAP1 Q14145 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TP53 P04637 1/20 0.41
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
CDC7 O00311 1/20 0.40
PLK4 O00444 1/20 0.40
DAPK3 O43293 1/20 0.40
DYRK3 O43781 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL16720220 0.81 CYP1A2 (0.50) KIF11ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL31041151 0.75 KIF11 (0.79) KIF11ALDH1A1HPGDSMN1; SMN2KDM4E
Lithium SCHEMBL31041154 0.73 KIF11 (0.76) KIF11ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL12054668 0.73 KEAP1 (0.75) KIF11ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL16720458 0.70 CA2 (0.54) KIF11CA12CA1CA2CA9
SCHEMBL4661398 0.69 KIF11 (0.68) KIF11ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL873846 0.69 KEAP1 (0.75) KIF11ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL21254711 0.69 KIF11 (0.68) KIF11ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL4666107 0.67 KIF11 (0.66) KIF11ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL4659812 0.67 KIF11 (0.66) KIF11ALDH1A1HPGDSMN1; SMN2KDM4E

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-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed