SCHEMBL16719904

SCHEMBL16719904

[c]1ccc2[nH]c(-c3cscn3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 9/20 0.64
METAP2 P50579 6/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
TP53 P04637 2/20 0.64
FKBP1A P62942 2/20 0.64
ADORA3 P0DMS8 2/20 0.64
KDM4E B2RXH2 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
TSHR P16473 1/20 0.64
CYP2C19 P33261 1/20 0.64
HIF1A Q16665 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
Thiabendazole SCHEMBL19842 0.78 METAP1 (1.00) METAP1METAP2NPC1RAB9ASMN1; SMN2
Thiabendazole SCHEMBL625588 0.78 METAP1 (1.00) METAP1METAP2NPC1RAB9ASMN1; SMN2
Thiabendazole SCHEMBL5184037 0.77 METAP1 (0.97) METAP1METAP2NPC1RAB9ASMN1; SMN2
Thiabendazole SCHEMBL9856779 0.77 METAP1 (0.97) METAP1METAP2NPC1RAB9ASMN1; SMN2
Thiabendazole SCHEMBL7733801 0.77 METAP1 (0.97) METAP1METAP2NPC1RAB9ASMN1; SMN2
Thiabendazole SCHEMBL11218788 0.77 METAP1 (0.97) METAP1METAP2NPC1RAB9ASMN1; SMN2
Thiabendazole SCHEMBL27856286 0.77 METAP1 (0.97) METAP1METAP2NPC1RAB9ASMN1; SMN2
Thiabendazole SCHEMBL2314460 0.77 METAP1 (0.97) METAP1METAP2NPC1RAB9ASMN1; SMN2
SCHEMBL5543777 0.75 KDM4E (0.37) METAP1METAP2NPC1RAB9ASMN1; SMN2
SCHEMBL5885414 0.75 METAP2 (0.67) METAP1METAP2NPC1RAB9ASMN1; SMN2

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