SCHEMBL4566720

SCHEMBL4566720

CCCCCC(N)NC(CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HLCS P50747 3/20 0.45
TDP1 Q9NUW8 5/20 0.41
CNR1 P21554 2/20 0.37
MEN1 O00255 1/20 0.37
ABL1 P00519 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
IDE P14735 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
RIN1 Q13671 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 7/20 0.37
CA1 P00915 7/20 0.37
CA2 P00918 7/20 0.37
CA9 Q16790 7/20 0.37
CNR2 P34972 2/20 0.37
FOLH1 Q04609 1/20 0.35

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
SCHEMBL8211765 0.91 HLCS (0.48) HLCSTDP1CNR1MEN1ABL1
SCHEMBL244669 0.79 TDP1 (0.49) HLCSTDP1CNR1MEN1ABL1
SCHEMBL1080634 0.78 TDP1 (0.47) HLCSTDP1CNR1MEN1ABL1
SCHEMBL14417216 0.77 TDP1 (0.58) HLCSTDP1MEN1ABL1LMNA
SCHEMBL1979297 0.77 TDP1 (0.58) HLCSTDP1MEN1ABL1LMNA
SCHEMBL17385535 0.77 TDP1 (0.58) HLCSTDP1MEN1ABL1LMNA
SCHEMBL1549117 0.76 TDP1 (0.57) HLCSTDP1MEN1ABL1LMNA
SCHEMBL1639628 0.76 TDP1 (0.49) HLCSTDP1CNR1MEN1ABL1
SCHEMBL5940995 0.74 HLCS (0.51) HLCSTDP1CNR1MEN1ABL1
SCHEMBL5789780 0.74 TDP1 (0.51) TDP1CNR1MEN1ABL1LMNA

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
US-20090325258-A1 Magnetic particle holding carrier and method for preparing the same TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2009-12-31 US disclosed