SCHEMBL3072383

SCHEMBL3072383

NCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.74
CA12 O43570 3/20 0.62
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
CA9 Q16790 3/20 0.62
MEN1 O00255 1/20 0.61
ABL1 P00519 1/20 0.61
LMNA P02545 1/20 0.61
PKM P14618 1/20 0.61
IDE P14735 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 1/20 0.61
RIN1 Q13671 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PLCD1 P51178 1/20 0.60
ITGB1 P05556 1/20 0.57
ITGA4 P13612 1/20 0.57
HLCS P50747 1/20 0.57
F2 P00734 1/20 0.57
PRSS1 P07477 1/20 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
SCHEMBL10140280 1.00 TDP1 (0.74) TDP1CA12CA1CA2CA9
Ethylenediamine SCHEMBL565340 0.99 TDP1 (0.73) TDP1CA12CA1CA2CA9
SCHEMBL26598596 0.97 TDP1 (0.72) TDP1CA12CA1CA2CA9
SCHEMBL15895090 0.97 TDP1 (0.72) TDP1CA12CA1CA2CA9
SCHEMBL30821562 0.97 TDP1 (0.72) TDP1CA12CA1CA2CA9
SCHEMBL25014977 0.97 TDP1 (0.72) TDP1CA12CA1CA2CA9
SCHEMBL24420141 0.97 TDP1 (0.72) TDP1CA12CA1CA2CA9
SCHEMBL10000338 0.97 TDP1 (0.72) TDP1CA12CA1CA2CA9
SCHEMBL3256514 0.97 TDP1 (0.72) TDP1CA12CA1CA2CA9
SCHEMBL10140274 0.97 TDP1 (0.72) TDP1CA12CA1CA2CA9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790392-B2 Homogeneous luminescence bioassay HIDEX OY (FI) 2010-09-07 US disclosed
EP-1957670-B1 HOMOGENEOUS LUMINESCENCE BIOASSAY HIDEX OY (FI) 2010-06-30 EP disclosed
US-20090081662-A1 Homogeneous Luminescence Bioassay HIDEX OY (FI) 2009-03-26 US disclosed
EP-1957670-A1 HOMOGENEOUS LUMINESCENCE BIOASSAY Hidex Oy (FI) 2008-08-20 EP disclosed
WO-2007060280-A1 HOMOGENEOUS LUMINESCENCE BIOASSAY HIDEX OY (FI) 2007-05-31 WO disclosed
US-6030846-A Homogeneous assays using avidin-binding azo reagents DADE BEHRING INC. (US) 2000-02-29 US disclosed
US-5612221-A Avidin-binding fluorescing and quenching reagent for use in homogeneous assays DADE CHEMISTRY SYSTEMS INC. (US) 1997-03-18 US disclosed
US-5536820-A Avidin-binding azo reagents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-07-16 US disclosed