SCHEMBL9912047

SCHEMBL9912047

CCCCOC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.72
HLCS P50747 6/20 0.68
MEN1 O00255 1/20 0.64
ABL1 P00519 1/20 0.64
LMNA P02545 1/20 0.64
PKM P14618 1/20 0.64
IDE P14735 1/20 0.64
MAPK1 P28482 1/20 0.64
KMT2A Q03164 1/20 0.64
RIN1 Q13671 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
HPSE Q9Y251 1/20 0.59
CNR1 P21554 3/20 0.53
CNR2 P34972 2/20 0.53
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
TPSAB1 Q15661 1/20 0.49
CA12 O43570 1/20 0.48

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
SCHEMBL10854680 1.00 TDP1 (0.72) TDP1HLCSMEN1ABL1LMNA
SCHEMBL7267179 0.95 HLCS (0.71) TDP1HLCSMEN1ABL1LMNA
SCHEMBL2322596 0.95 HLCS (0.71) TDP1HLCSMEN1ABL1LMNA
SCHEMBL10389671 0.95 HLCS (0.71) TDP1HLCSMEN1ABL1LMNA
SCHEMBL10124218 0.94 TDP1 (0.74) TDP1HLCSMEN1ABL1LMNA
SCHEMBL10854861 0.94 TDP1 (0.74) TDP1HLCSMEN1ABL1LMNA
SCHEMBL7157942 0.92 TDP1 (0.77) TDP1HLCSMEN1ABL1LMNA
SCHEMBL12050324 0.89 TDP1 (0.77) TDP1HLCSMEN1ABL1LMNA
SCHEMBL1934693 0.89 TDP1 (0.77) TDP1HLCSMEN1ABL1LMNA
SCHEMBL3789590 0.88 TDP1 (0.69) TDP1HLCSMEN1ABL1LMNA

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
US-8198099-B2 Mechanism to signal receptor-ligand interactions with luminescent quantum dots THE UNIVERSITY OF MIAMI (US) 2012-06-12 US disclosed
US-20100112560-A1 MECHANISM TO SIGNAL RECEPTOR-LIGAND INTERACTIONS WITH LUMINESCENT QUANTUM DOTS UNIVERSITY OF MIAMI, THE 2010-05-06 US disclosed