SCHEMBL4522069

SCHEMBL4522069

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NOC(=O)CCCCCN1C(=O)CC(S(=O)(=O)O)C1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.52
CA12 O43570 11/20 0.47
CA1 P00915 11/20 0.47
CA2 P00918 11/20 0.47
CA9 Q16790 11/20 0.47
MEN1 O00255 1/20 0.46
ABL1 P00519 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
IDE P14735 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
RIN1 Q13671 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HLCS P50747 1/20 0.42

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
SCHEMBL4455260 0.80 TDP1 (0.55) TDP1CA12CA1CA2CA9
SCHEMBL179912 0.80 TDP1 (0.55) TDP1CA12CA1CA2CA9
SCHEMBL12569327 0.80 TDP1 (0.55) TDP1CA12CA1CA2CA9
SCHEMBL18780618 0.80 TDP1 (0.55) TDP1CA12CA1CA2CA9
SCHEMBL6033324 0.80 TDP1 (0.55) TDP1CA12CA1CA2CA9
SCHEMBL14417100 0.80 TDP1 (0.55) TDP1CA12CA1CA2CA9
SCHEMBL17385535 0.79 TDP1 (0.58) TDP1CA12CA1CA2CA9
SCHEMBL14417216 0.79 TDP1 (0.58) TDP1CA12CA1CA2CA9
SCHEMBL1979297 0.79 TDP1 (0.58) TDP1CA12CA1CA2CA9
SCHEMBL3622089 0.79 TDP1 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534819-B2 Compositions and methods for intracellular delivery of biotinylated cargo UNIVERSITY OF WASHINGTON (US) 2009-05-19 US disclosed
US-20060281677-A1 Compositions and methods for intracellular delivery of biotinylated cargo UNIVERSITY OF WASHINGTON (US) 2006-12-14 US disclosed