SCHEMBL7902253

SCHEMBL7902253

O=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)OCCCCCCCCCCCS)N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.66
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
HLCS P50747 6/20 0.57
HPSE Q9Y251 1/20 0.55
CNR1 P21554 2/20 0.53
CNR2 P34972 1/20 0.47
PLCD1 P51178 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
F2 P00734 1/20 0.46

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
SCHEMBL19128954 0.92 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL29046885 0.90 HLCS (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL7157942 0.90 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL2322596 0.89 HLCS (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL7267179 0.89 HLCS (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL10389671 0.89 HLCS (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL4474965 0.89 TDP1 (0.66) TDP1MEN1ABL1LMNAPKM
SCHEMBL3789590 0.86 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL10854680 0.86 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL9912047 0.86 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM

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-6277489-B1 Support for high performance affinity chromatography and other uses THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-08-21 US disclosed
WO-2000032044-A1 A NEW SUPPORT FOR HIGH PERFORMANCE AFFINITY CHROMATOGRAPHY AND OTHER USES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-06-08 WO disclosed