SCHEMBL2838462

SCHEMBL2838462

COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.66
PTPN1 P18031 1/20 0.66
TDP1 Q9NUW8 3/20 0.65
MEN1 O00255 9/20 0.64
KMT2A Q03164 9/20 0.64
POLB P06746 5/20 0.64
MAPT P10636 5/20 0.64
MCL1 Q07820 3/20 0.64
DUSP3 P51452 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
PSMD14 O00487 1/20 0.60
HSD17B3 P37058 1/20 0.56
KDM4E B2RXH2 2/20 0.55
MAPK1 P28482 2/20 0.55
CACNA1B Q00975 2/20 0.55
APBA1 Q02410 2/20 0.55
GRK6 P43250 1/20 0.55
GAA P10253 1/20 0.54
PTPN7 P35236 2/20 0.54
PTPN12 Q05209 2/20 0.54

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
SCHEMBL2838460 1.00 PTPN2 (0.66) PTPN2PTPN1TDP1MEN1KMT2A
SCHEMBL2838465 1.00 PTPN2 (0.66) PTPN2PTPN1TDP1MEN1KMT2A
SCHEMBL2837903 0.89 PTPN2 (0.81) PTPN2PTPN1TDP1MEN1KMT2A
SCHEMBL2837901 0.89 PTPN2 (0.81) PTPN2PTPN1TDP1MEN1KMT2A
SCHEMBL2837896 0.89 PTPN2 (0.81) PTPN2PTPN1TDP1MEN1KMT2A
SCHEMBL2838378 0.85 TDP1 (0.87) PTPN2PTPN1TDP1MEN1KMT2A
SCHEMBL2838383 0.85 TDP1 (0.87) PTPN2PTPN1TDP1MEN1KMT2A
SCHEMBL2838380 0.85 TDP1 (0.87) PTPN2PTPN1TDP1MEN1KMT2A
SCHEMBL9331034 0.84 KDM4E (0.60) PTPN2PTPN1TDP1MEN1KMT2A
SCHEMBL9331029 0.84 KDM4E (0.60) PTPN2PTPN1TDP1MEN1KMT2A

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
WO-2010056914-A1 BACTERIAL HELICASE INHIBITOR COMPOUNDS AND USES THEREOF MICROBIOTIX, INC. (US) 2010-05-20 WO disclosed