SCHEMBL13791483

SCHEMBL13791483

CC(=O)CCCCCCCCCCCNC(=O)CN(C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.58
▸ MEN1 O00255 1/20 0.54
▸ ABL1 P00519 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ IDE P14735 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ RIN1 Q13671 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ F2 P00734 1/20 0.51
▸ PRSS1 P07477 1/20 0.51
▸ PRSS2 P07478 1/20 0.51
▸ PRSS3 P35030 1/20 0.51
▸ TPSAB1 Q15661 1/20 0.51
▸ FLI1 Q01543 1/20 0.51
▸ EWSR1 Q01844 1/20 0.51
▸ HLCS P50747 3/20 0.50
▸ PLCD1 P51178 1/20 0.50
▸ ITGB1 P05556 1/20 0.50

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
SCHEMBL1726151 0.92 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL23571294 0.89 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL13873912 0.89 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL13380552 0.89 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL16063441 0.86 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL15130513 0.85 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL13802847 0.85 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL21998261 0.84 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL13791524 0.84 PRSS1 (0.55) TDP1MEN1ABL1LMNAPKM
SCHEMBL18779801 0.83 TDP1 (0.78) 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-7544518-B2 Rapid quantitative analysis of proteins or protein function in complex mixtures UNIVERSITY OF WASHINGTON (US) 2009-06-09 — — US disclosed
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