SCHEMBL13069600

SCHEMBL13069600

N=Nc1ccccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
THRB P10828 1/20 0.55
BLM P54132 1/20 0.55
TRIM24 O15164 2/20 0.50
TRIM33 Q9UPN9 2/20 0.50
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL10894910 0.78 LMNA (0.57) LMNAKMT2AMEN1TDP1THRB
SCHEMBL463783 0.78 LMNA (0.57) LMNAKMT2AMEN1TDP1THRB
SCHEMBL30332152 0.78 LMNA (0.57) LMNAKMT2AMEN1TDP1THRB
SCHEMBL17950685 0.76 LMNA (0.55) LMNAKMT2AMEN1TDP1THRB
SCHEMBL11884139 0.76 LMNA (0.55) LMNAKMT2AMEN1TDP1THRB
SCHEMBL7190691 0.73 TDP1 (0.50) LMNAKMT2AMEN1TDP1THRB
SCHEMBL14878869 0.73 CA2 (0.36) LMNACA12CA2CA9MAPT
SCHEMBL15711502 0.73 CA12 (0.36) LMNACA12CA2CA9MAPT
SCHEMBL30467444 0.73 LMNA (0.50) LMNAKMT2AMEN1TDP1THRB
Ortho-Phthalaldehyde SCHEMBL4953869 0.73 LMNA (1.00) LMNAKMT2AMEN1TDP1THRB

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-1983032-B1 Phase change inks containing colorant compounds XEROX CORP (US) 2010-11-24 EP disclosed
EP-1983033-A1 Phase change inks containing colourant compounds Xerox Corporation (US) 2008-10-22 EP disclosed