SCHEMBL18268949

SCHEMBL18268949

O=C(O)CCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.79
▸ PKM P14618 2/20 0.79
▸ MEN1 O00255 1/20 0.79
▸ ABL1 P00519 1/20 0.79
▸ LMNA P02545 1/20 0.79
▸ IDE P14735 1/20 0.79
▸ MAPK1 P28482 1/20 0.79
▸ KMT2A Q03164 1/20 0.79
▸ RIN1 Q13671 1/20 0.79
▸ L3MBTL1 Q9Y468 1/20 0.79
▸ FOLH1 Q04609 2/20 0.62
▸ CA12 O43570 3/20 0.62
▸ CA1 P00915 3/20 0.62
▸ CA2 P00918 3/20 0.62
▸ CA9 Q16790 3/20 0.62
▸ CAPN1 P07384 2/20 0.57
▸ PLCD1 P51178 1/20 0.57
▸ HLCS P50747 1/20 0.56
▸ F2 P00734 1/20 0.56
▸ PRSS1 P07477 1/20 0.56

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
SCHEMBL9174298 1.00 TDP1 (0.79) TDP1PKMMEN1ABL1LMNA
SCHEMBL12606268 0.98 TDP1 (0.79) TDP1PKMMEN1ABL1LMNA
SCHEMBL16913029 0.97 TDP1 (0.77) TDP1PKMMEN1ABL1LMNA
SCHEMBL565248 0.97 TDP1 (0.77) TDP1PKMMEN1ABL1LMNA
SCHEMBL22975316 0.97 TDP1 (0.77) TDP1PKMMEN1ABL1LMNA
SCHEMBL25417015 0.97 TDP1 (0.77) TDP1PKMMEN1ABL1LMNA
SCHEMBL10171661 0.97 TDP1 (0.77) TDP1PKMMEN1ABL1LMNA
SCHEMBL565479 0.97 TDP1 (0.77) TDP1PKMMEN1ABL1LMNA
SCHEMBL12551857 0.97 TDP1 (0.77) TDP1PKMMEN1ABL1LMNA
SCHEMBL383254 0.97 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160346409-A1 TARGETED MOLECULAR IMAGING CONTRAST AGENTS UNIV MCMASTER (CA) 2016-12-01 — — US disclosed
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