SCHEMBL7048713

SCHEMBL7048713

[CH2]CCCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.72
PKM P14618 2/20 0.62
MEN1 O00255 1/20 0.62
ABL1 P00519 1/20 0.62
LMNA P02545 1/20 0.62
IDE P14735 1/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 1/20 0.62
RIN1 Q13671 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CA12 O43570 3/20 0.61
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA9 Q16790 3/20 0.61
PLCD1 P51178 1/20 0.58
FOLH1 Q04609 2/20 0.56
CAPN1 P07384 2/20 0.56
ITGB1 P05556 1/20 0.56
ITGA4 P13612 1/20 0.56
F2 P00734 1/20 0.55

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 1.00 TDP1 (0.72) TDP1PKMMEN1ABL1LMNA
SCHEMBL8328979 0.99 TDP1 (0.71) TDP1PKMMEN1ABL1LMNA
SCHEMBL6037551 0.97 TDP1 (0.70) TDP1PKMMEN1ABL1LMNA
SCHEMBL9837195 0.93 TDP1 (0.69) TDP1PKMMEN1ABL1LMNA
SCHEMBL18779801 0.93 TDP1 (0.78) TDP1PKMMEN1ABL1LMNA
SCHEMBL9412852 0.91 TDP1 (0.74) TDP1PKMMEN1ABL1LMNA
SCHEMBL14134804 0.90 TDP1 (0.74) TDP1PKMMEN1ABL1LMNA
SCHEMBL12606268 0.90 TDP1 (0.79) TDP1PKMMEN1ABL1LMNA
SCHEMBL13433595 0.89 TDP1 (0.73) TDP1PKMMEN1ABL1LMNA
SCHEMBL25417015 0.89 TDP1 (0.77) TDP1PKMMEN1ABL1LMNA

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
EP-1029869-B1 Endothelin converting enzyme inhibitors WELLCOME FOUND (GB) 2003-04-23 EP claimed
US-6235717-B1 Pharmaceutical compounds GLAXO WELLCOME INC. 2001-05-22 US claimed