SCHEMBL2838383

SCHEMBL2838383

COc1cc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1O

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.87
PTPN2 P17706 1/20 0.67
PTPN1 P18031 1/20 0.67
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
POLB P06746 5/20 0.60
MAPT P10636 5/20 0.60
DUSP3 P51452 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MCL1 Q07820 2/20 0.60
DUSP22 Q9NRW4 1/20 0.56
ALDH1A1 P00352 3/20 0.54
CACNA1B Q00975 2/20 0.54
APBA1 Q02410 2/20 0.54
APAF1 O14727 1/20 0.54
PKM P14618 1/20 0.54
AGTR1 P30556 1/20 0.54
EIF4H Q15056 1/20 0.54
PSMD14 O00487 1/20 0.53
P4HB P07237 1/20 0.53

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
SCHEMBL2838380 1.00 TDP1 (0.87) TDP1PTPN2PTPN1MEN1KMT2A
SCHEMBL2838378 1.00 TDP1 (0.87) TDP1PTPN2PTPN1MEN1KMT2A
SCHEMBL15828188 0.93 TDP1 (1.00) TDP1PTPN2PTPN1MEN1KMT2A
SCHEMBL5991606 0.88 TDP1 (0.72) TDP1PTPN2PTPN1MEN1KMT2A
SCHEMBL2838460 0.85 PTPN2 (0.66) TDP1PTPN2PTPN1MEN1KMT2A
SCHEMBL2838462 0.85 PTPN2 (0.66) TDP1PTPN2PTPN1MEN1KMT2A
SCHEMBL2838465 0.85 PTPN2 (0.66) TDP1PTPN2PTPN1MEN1KMT2A
SCHEMBL17762701 0.82 DUSP22 (0.66) TDP1MEN1KMT2APOLBMAPT
SCHEMBL5996448 0.81 HSPD1 (0.75) TDP1MEN1KMT2APOLBMAPT
SCHEMBL9331034 0.81 KDM4E (0.60) TDP1PTPN2PTPN1MEN1KMT2A

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