SCHEMBL2837896

SCHEMBL2837896

COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(OC)c1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.81
PTPN1 P18031 1/20 0.81
MEN1 O00255 8/20 0.66
KMT2A Q03164 8/20 0.66
POLB P06746 6/20 0.66
MAPT P10636 3/20 0.66
CACNA1B Q00975 2/20 0.66
APBA1 Q02410 2/20 0.66
DUSP3 P51452 2/20 0.66
APAF1 O14727 1/20 0.66
ALDH1A1 P00352 1/20 0.66
PKM P14618 1/20 0.66
AGTR1 P30556 1/20 0.66
EIF4H Q15056 1/20 0.66
PSMD14 O00487 2/20 0.60
GRK6 P43250 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PTPN7 P35236 2/20 0.57
PTPN12 Q05209 2/20 0.57
PTPN22 Q9Y2R2 2/20 0.57

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
SCHEMBL2837903 1.00 PTPN2 (0.81) PTPN2PTPN1MEN1KMT2APOLB
SCHEMBL2837901 1.00 PTPN2 (0.81) PTPN2PTPN1MEN1KMT2APOLB
SCHEMBL1421366 0.93 PTPN2 (0.74) PTPN2PTPN1MEN1KMT2APOLB
SCHEMBL3761481 0.93 PTPN2 (0.74) PTPN2PTPN1MEN1KMT2APOLB
SCHEMBL1421364 0.93 PTPN2 (0.74) PTPN2PTPN1MEN1KMT2APOLB
SCHEMBL29525393 0.93 PTPN2 (0.74) PTPN2PTPN1MEN1KMT2APOLB
SCHEMBL4955393 0.90 PTPN2 (1.00) PTPN2PTPN1MEN1KMT2APOLB
SCHEMBL4955388 0.90 PTPN2 (1.00) PTPN2PTPN1MEN1KMT2APOLB
SCHEMBL12315854 0.90 MEN1 (0.72) PTPN2PTPN1MEN1KMT2APOLB
SCHEMBL2838465 0.89 PTPN2 (0.66) PTPN2PTPN1MEN1KMT2APOLB

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