SCHEMBL8328979

SCHEMBL8328979

[CH2]CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.71
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 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA9 Q16790 2/20 0.60
PLCD1 P51178 1/20 0.60
HLCS P50747 2/20 0.57
ITGB1 P05556 1/20 0.57
ITGA4 P13612 1/20 0.57
F2 P00734 1/20 0.57
PRSS1 P07477 1/20 0.57

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
SCHEMBL7904781 0.99 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL7048713 0.99 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL6037551 0.95 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL18779801 0.94 TDP1 (0.78) TDP1MEN1ABL1LMNAPKM
SCHEMBL9837195 0.92 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL13433595 0.90 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL25417015 0.90 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL10277239 0.90 TDP1 (0.76) TDP1MEN1ABL1LMNAPKM
SCHEMBL23723261 0.90 TDP1 (0.76) TDP1MEN1ABL1LMNAPKM
SCHEMBL22975316 0.90 TDP1 (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832292-A4 DNA POLYMERASE EXTENSION ASSAY FOR INFLUENZA VIRUS ENDONUCLEASE MERCK & CO INC (US) 1999-05-26 EP disclosed
EP-0832292-A1 DNA POLYMERASE EXTENSION ASSAY FOR INFLUENZA VIRUS ENDONUCLEASE Merck & Co., Inc. (US) 1998-04-01 EP disclosed
WO-1996040993-A1 DNA POLYMERASE EXTENSION ASSAY FOR INFLUENZA VIRUS ENDONUCLEASE MERCK & CO., INC. (US) 1996-12-19 WO disclosed