SCHEMBL5341777

SCHEMBL5341777

NNC(CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ ABL1 P00519 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ IDE P14735 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ RIN1 Q13671 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ HLCS P50747 6/20 0.55
▸ FOLH1 Q04609 2/20 0.50
▸ CA12 O43570 6/20 0.47
▸ CA1 P00915 6/20 0.47
▸ CA2 P00918 6/20 0.47
▸ CA9 Q16790 6/20 0.47

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
SCHEMBL29521761 0.87 TDP1 (0.56) TDP1MEN1ABL1LMNAPKM
SCHEMBL15639685 0.85 TDP1 (0.54) TDP1MEN1ABL1LMNAPKM
SCHEMBL3962036 0.85 TDP1 (0.56) TDP1MEN1ABL1LMNAPKM
SCHEMBL487045 0.84 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL7545265 0.84 TDP1 (0.55) TDP1MEN1ABL1LMNAPKM
SCHEMBL629531 0.84 TDP1 (0.74) TDP1MEN1ABL1LMNAPKM
SCHEMBL425273 0.83 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL29514042 0.82 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL9241448 0.82 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL8958855 0.82 TDP1 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007131286-A1 NANOSTRUCTURES SUITABLE FOR DELIVERY OF AGENTS APOLLO LIFE SCIENCES LIMITED (AU) 2007-11-22 — — WO disclosed
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