SCHEMBL12672576

SCHEMBL12672576

C/C(=C\O)CNC(=O)CCCC[C@H]1SCC2NC(=O)NC21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.63
▸ 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
▸ CA12 O43570 5/20 0.56
▸ CA1 P00915 5/20 0.56
▸ CA2 P00918 5/20 0.56
▸ CA9 Q16790 5/20 0.56
▸ HLCS P50747 3/20 0.55
▸ F2 P00734 1/20 0.52
▸ PRSS1 P07477 1/20 0.52
▸ PRSS2 P07478 1/20 0.52
▸ PRSS3 P35030 1/20 0.52
▸ TPSAB1 Q15661 1/20 0.52

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
SCHEMBL13110899 0.90 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL1810465 0.86 TDP1 (0.74) TDP1MEN1ABL1LMNAPKM
SCHEMBL23126169 0.85 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL19034459 0.85 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL13899175 0.85 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL23126156 0.85 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL8650557 0.85 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL10051079 0.85 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL20656160 0.85 TDP1 (0.55) TDP1MEN1ABL1LMNAPKM
SCHEMBL9412852 0.85 TDP1 (0.74) 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
US-7939626-B2 Condensation of a specifically engineered phosphine containing a cleavable linker so that a substituent of the phosphine is transferred to the azide, releasing an oxidized phosphine by-product and producing an amide bond in final product THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-10 — — US disclosed
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